 Entering Gaussian System, Link 0=g16
 Input=03_trispirononane_STD_B3LYPDBJ-def2SVPDr.in
 Output=03_trispirononane_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            P    1   1.00
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/03_trispirononane_STD/Gau-7448.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/03_trispirononane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      7452.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=03_trispirononane_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "03_trispirononane_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.850997000000      1.132902000000     -1.105650000000
  C                                                 1.349583000000      0.074712000000     -0.171197000000
  C                                                 0.000033000000      0.589081000000     -0.000049000000
  C                                                 2.545757000000     -0.163361000000      0.661658000000
  C                                                 2.010439000000     -1.243659000000     -0.273932000000
  C                                                -0.850800000000      1.132550000000      1.105829000000
  C                                                -1.349503000000      0.074646000000      0.171128000000
  C                                                -2.010462000000     -1.243726000000      0.273569000000
  C                                                -2.545996000000     -0.163032000000     -0.661407000000
  H                                                 1.247956000000      2.136318000000     -0.998967000000
  H                                                 0.606749000000      0.844078000000     -2.122271000000
  H                                                 2.409697000000     -0.307621000000      1.726593000000
  H                                                 3.473352000000      0.323369000000      0.386964000000
  H                                                 1.522142000000     -2.099447000000      0.175269000000
  H                                                 2.586225000000     -1.466945000000     -1.163587000000
  H                                                -0.606306000000      0.843541000000      2.122338000000
  H                                                -1.247840000000      2.135964000000      0.999440000000
  H                                                -1.522526000000     -2.099396000000     -0.176207000000
  H                                                -2.585918000000     -1.467289000000      1.163367000000
  H                                                -2.410375000000     -0.306923000000     -1.726447000000
  H                                                -3.473450000000      0.323675000000     -0.386186000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1
 NAtoms=     21 NQM=       21 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.850997    1.132902   -1.105650
      2          6           0        1.349583    0.074712   -0.171197
      3          6           0        0.000033    0.589081   -0.000049
      4          6           0        2.545757   -0.163361    0.661658
      5          6           0        2.010439   -1.243659   -0.273932
      6          6           0       -0.850800    1.132550    1.105829
      7          6           0       -1.349503    0.074646    0.171128
      8          6           0       -2.010462   -1.243726    0.273569
      9          6           0       -2.545996   -0.163032   -0.661407
     10          1           0        1.247956    2.136318   -0.998967
     11          1           0        0.606749    0.844078   -2.122271
     12          1           0        2.409697   -0.307621    1.726593
     13          1           0        3.473352    0.323369    0.386964
     14          1           0        1.522142   -2.099447    0.175269
     15          1           0        2.586225   -1.466945   -1.163587
     16          1           0       -0.606306    0.843541    2.122338
     17          1           0       -1.247840    2.135964    0.999440
     18          1           0       -1.522526   -2.099396   -0.176207
     19          1           0       -2.585918   -1.467289    1.163367
     20          1           0       -2.410375   -0.306923   -1.726447
     21          1           0       -3.473450    0.323675   -0.386186
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.497183   0.000000
     3  C    1.497409   1.454356   0.000000
     4  C    2.770539   1.476875   2.735825   0.000000
     5  C    2.772021   1.478306   2.734169   1.526086   0.000000
     6  C    2.790475   2.755268   1.497412   3.662414   3.966963
     7  C    2.755407   2.720708   1.454370   3.933232   3.636649
     8  C    3.967185   3.636757   2.734253   4.698610   4.058005
     9  C    3.662835   3.933493   2.735933   5.260841   4.698829
    10  H    1.084344   2.223904   2.224655   3.119373   3.539958
    11  H    1.084709   2.224953   2.221926   3.539060   3.121754
    12  H    3.539245   2.207176   3.097071   1.083240   2.244476
    13  H    3.124098   2.209925   3.504900   1.082957   2.243318
    14  H    3.541083   2.208344   3.094468   2.243388   1.082861
    15  H    3.126272   2.211522   3.502778   2.243321   1.082992
    16  H    3.553501   3.110772   2.221919   3.617035   4.116536
    17  H    3.137300   3.516498   2.224638   4.448862   4.864125
    18  H    4.116458   3.602191   3.094693   4.582704   3.636437
    19  H    4.870505   4.432493   3.502761   5.318461   4.821031
    20  H    3.618706   4.086775   3.097312   5.503354   4.746669
    21  H    4.457950   4.834237   3.504943   6.129114   5.704575
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.497175   0.000000
     8  C    2.772032   1.478332   0.000000
     9  C    2.770441   1.476889   1.526066   0.000000
    10  H    3.137275   3.516590   4.864292   4.449160   0.000000
    11  H    3.553631   3.111049   4.116888   3.617761   1.828344
    12  H    3.618049   4.086219   4.746091   5.502939   3.840724
    13  H    4.457559   4.834085   5.704460   6.129292   3.187472
    14  H    4.116139   3.601811   3.636099   4.582519   4.404056
    15  H    4.870397   4.432598   4.821284   5.319029   3.847281
    16  H    1.084709   2.225031   3.121904   3.539043   3.853843
    17  H    1.084343   2.223841   3.539885   3.119135   3.197285
    18  H    3.541230   2.208401   1.082844   2.243305   5.127746
    19  H    3.126197   2.211521   1.082991   2.243319   5.688608
    20  H    3.539229   2.207223   2.244459   1.083240   4.458928
    21  H    3.123889   2.209924   2.243291   1.082959   5.094394
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.403497   0.000000
    13  H    3.845102   1.823216   0.000000
    14  H    3.844603   2.530810   3.118024   0.000000
    15  H    3.190333   3.119028   2.529116   1.823422   0.000000
    16  H    4.414545   3.252393   4.463822   4.120989   5.131072
    17  H    3.854030   4.458412   5.094142   5.127452   5.688558
    18  H    4.121288   4.721598   5.580838   3.064888   4.272792
    19  H    5.131370   5.159285   6.365847   4.272250   5.671488
    20  H    3.253385   5.929298   6.283472   4.721690   5.160278
    21  H    4.464620   6.282817   6.989694   5.580564   6.366344
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.828339   0.000000
    18  H    3.844951   4.404075   0.000000
    19  H    3.190364   3.847175   1.823409   0.000000
    20  H    4.403564   3.840527   2.530707   3.119021   0.000000
    21  H    3.844928   3.187113   3.117927   2.529106   1.823206
                   21
    21  H    0.000000
 Stoichiometry    C9H12
 Framework group  C1[X(C9H12)]
 Deg. of freedom    57
 Full point group                 C1      NOp   1
 RotChk:  IX=3 Diff= 2.86D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.850997    1.132902   -1.105650
      2          6           0        1.349583    0.074712   -0.171197
      3          6           0        0.000033    0.589081   -0.000049
      4          6           0        2.545757   -0.163361    0.661658
      5          6           0        2.010439   -1.243659   -0.273932
      6          6           0       -0.850800    1.132550    1.105829
      7          6           0       -1.349503    0.074646    0.171128
      8          6           0       -2.010462   -1.243726    0.273569
      9          6           0       -2.545996   -0.163032   -0.661407
     10          1           0        1.247956    2.136318   -0.998967
     11          1           0        0.606749    0.844078   -2.122271
     12          1           0        2.409697   -0.307621    1.726593
     13          1           0        3.473352    0.323369    0.386964
     14          1           0        1.522142   -2.099447    0.175269
     15          1           0        2.586225   -1.466945   -1.163587
     16          1           0       -0.606306    0.843541    2.122338
     17          1           0       -1.247840    2.135964    0.999440
     18          1           0       -1.522526   -2.099396   -0.176207
     19          1           0       -2.585918   -1.467289    1.163367
     20          1           0       -2.410375   -0.306923   -1.726447
     21          1           0       -3.473450    0.323675   -0.386186
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.1657619           1.1638082           1.0780134
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20     21
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   294 symmetry adapted cartesian basis functions of A   symmetry.
 There are   276 symmetry adapted basis functions of A   symmetry.
   276 basis functions,   408 primitive gaussians,   294 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       431.2966651839 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   21 NActive=   21 NUniq=   21 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0310334547 Hartrees.
 Nuclear repulsion after empirical dispersion term =      431.2656317293 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:04 2021, MaxMem=  5637144576 cpu:               5.1 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   276 RedAO= T EigKep=  2.39D-05  NBF=   276
 NBsUse=   276 1.00D-06 EigRej= -1.00D+00 NBFU=   276
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   294   294   294   294   294 MxSgAt=    21 MxSgA2=    21.
 Leave Link  302 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:               4.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "03_trispirononane_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:               4.2 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636966369 LenY=  5636879492
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -349.823855074385    
 DIIS: error= 3.18D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -349.823855074385     IErMin= 1 ErrMin= 3.18D-03
 ErrMax= 3.18D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.50D-03 BMatP= 5.50D-03
 IDIUse=3 WtCom= 9.68D-01 WtEn= 3.18D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.304 Goal=   None    Shift=    0.000
 GapD=    0.304 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.60D-03 MaxDP=2.90D-01              OVMax= 1.11D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.13D-03    CP:  1.12D+00
 E= -349.828705596778     Delta-E=       -0.004850522393 Rises=F Damp=F
 DIIS: error= 4.69D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -349.828705596778     IErMin= 2 ErrMin= 4.69D-04
 ErrMax= 4.69D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.10D-05 BMatP= 5.50D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.69D-03
 Coeff-Com:  0.117D-03 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.117D-03 0.100D+01
 Gap=     0.287 Goal=   None    Shift=    0.000
 RMSDP=3.36D-04 MaxDP=2.02D-02 DE=-4.85D-03 OVMax= 2.89D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.88D-04    CP:  1.13D+00  1.03D+00
 E= -349.828702788815     Delta-E=        0.000002807962 Rises=F Damp=F
 DIIS: error= 5.04D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -349.828705596778     IErMin= 2 ErrMin= 4.69D-04
 ErrMax= 5.04D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.27D-05 BMatP= 6.10D-05
 IDIUse=3 WtCom= 3.08D-01 WtEn= 6.92D-01
 Coeff-Com: -0.110D-01 0.529D+00 0.482D+00
 Coeff-En:   0.000D+00 0.510D+00 0.490D+00
 Coeff:     -0.338D-02 0.516D+00 0.488D+00
 Gap=     0.284 Goal=   None    Shift=    0.000
 RMSDP=9.20D-05 MaxDP=2.86D-03 DE= 2.81D-06 OVMax= 1.56D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.19D-05    CP:  1.13D+00  1.03D+00  6.00D-01
 E= -349.828782383730     Delta-E=       -0.000079594915 Rises=F Damp=F
 DIIS: error= 6.62D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -349.828782383730     IErMin= 4 ErrMin= 6.62D-05
 ErrMax= 6.62D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-06 BMatP= 6.10D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.431D-02 0.130D+00 0.175D+00 0.699D+00
 Coeff:     -0.431D-02 0.130D+00 0.175D+00 0.699D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=2.07D-05 MaxDP=6.16D-04 DE=-7.96D-05 OVMax= 3.64D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.57D-05    CP:  1.12D+00  1.03D+00  6.49D-01  8.43D-01
 E= -349.828783432455     Delta-E=       -0.000001048725 Rises=F Damp=F
 DIIS: error= 3.49D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -349.828783432455     IErMin= 5 ErrMin= 3.49D-05
 ErrMax= 3.49D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.13D-07 BMatP= 1.52D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.114D-02 0.852D-02 0.403D-01 0.412D+00 0.541D+00
 Coeff:     -0.114D-02 0.852D-02 0.403D-01 0.412D+00 0.541D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=9.69D-06 MaxDP=4.23D-04 DE=-1.05D-06 OVMax= 1.35D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.09D-06    CP:  1.13D+00  1.03D+00  6.39D-01  8.84D-01  5.59D-01
 E= -349.828783917704     Delta-E=       -0.000000485249 Rises=F Damp=F
 DIIS: error= 3.10D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -349.828783917704     IErMin= 6 ErrMin= 3.10D-06
 ErrMax= 3.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.20D-09 BMatP= 5.13D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.302D-03 0.478D-03 0.942D-02 0.120D+00 0.188D+00 0.682D+00
 Coeff:     -0.302D-03 0.478D-03 0.942D-02 0.120D+00 0.188D+00 0.682D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=9.29D-07 MaxDP=3.03D-05 DE=-4.85D-07 OVMax= 1.94D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.38D-07    CP:  1.13D+00  1.03D+00  6.40D-01  8.84D-01  5.67D-01
                    CP:  9.20D-01
 E= -349.828783920350     Delta-E=       -0.000000002646 Rises=F Damp=F
 DIIS: error= 1.63D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -349.828783920350     IErMin= 7 ErrMin= 1.63D-06
 ErrMax= 1.63D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-09 BMatP= 4.20D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.550D-06-0.110D-02-0.879D-03 0.643D-02 0.295D-01 0.408D+00
 Coeff-Com:  0.558D+00
 Coeff:     -0.550D-06-0.110D-02-0.879D-03 0.643D-02 0.295D-01 0.408D+00
 Coeff:      0.558D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=4.04D-07 MaxDP=1.08D-05 DE=-2.65D-09 OVMax= 9.42D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.91D-07    CP:  1.13D+00  1.03D+00  6.40D-01  8.83D-01  5.74D-01
                    CP:  9.30D-01  6.38D-01
 E= -349.828783921877     Delta-E=       -0.000000001527 Rises=F Damp=F
 DIIS: error= 1.31D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -349.828783921877     IErMin= 8 ErrMin= 1.31D-07
 ErrMax= 1.31D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.90D-12 BMatP= 1.56D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.571D-05-0.357D-03-0.481D-03-0.386D-03 0.561D-02 0.117D+00
 Coeff-Com:  0.178D+00 0.701D+00
 Coeff:      0.571D-05-0.357D-03-0.481D-03-0.386D-03 0.561D-02 0.117D+00
 Coeff:      0.178D+00 0.701D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=4.60D-08 MaxDP=1.64D-06 DE=-1.53D-09 OVMax= 8.31D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.42D-08    CP:  1.13D+00  1.03D+00  6.40D-01  8.83D-01  5.74D-01
                    CP:  9.32D-01  6.45D-01  8.50D-01
 E= -349.828783921884     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 4.73D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -349.828783921884     IErMin= 9 ErrMin= 4.73D-08
 ErrMax= 4.73D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-12 BMatP= 7.90D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.268D-05-0.115D-03-0.184D-03-0.508D-03 0.117D-02 0.356D-01
 Coeff-Com:  0.563D-01 0.353D+00 0.555D+00
 Coeff:      0.268D-05-0.115D-03-0.184D-03-0.508D-03 0.117D-02 0.356D-01
 Coeff:      0.563D-01 0.353D+00 0.555D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=1.32D-08 MaxDP=4.63D-07 DE=-7.50D-12 OVMax= 3.31D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.60D-09    CP:  1.13D+00  1.03D+00  6.40D-01  8.83D-01  5.74D-01
                    CP:  9.32D-01  6.45D-01  8.62D-01  7.69D-01
 E= -349.828783921901     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 1.06D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -349.828783921901     IErMin=10 ErrMin= 1.06D-08
 ErrMax= 1.06D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.78D-14 BMatP= 1.50D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.444D-06-0.793D-05-0.215D-04-0.161D-03-0.125D-03 0.209D-02
 Coeff-Com:  0.325D-02 0.649D-01 0.206D+00 0.724D+00
 Coeff:      0.444D-06-0.793D-05-0.215D-04-0.161D-03-0.125D-03 0.209D-02
 Coeff:      0.325D-02 0.649D-01 0.206D+00 0.724D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=3.90D-09 MaxDP=1.74D-07 DE=-1.66D-11 OVMax= 5.54D-08

 SCF Done:  E(RB3LYP) =  -349.828783922     A.U. after   10 cycles
            NFock= 10  Conv=0.39D-08     -V/T= 2.0126
 KE= 3.454918026434D+02 PE=-1.669728772453D+03 EE= 5.431425541583D+02
 Leave Link  502 at Fri Jul 16 13:11:38 2021, MaxMem=  5637144576 cpu:             732.3 elap:              91.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   276
 NBasis=   276 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    276 NOA=    33 NOB=    33 NVA=   243 NVB=   243

 **** Warning!!: The largest alpha MO coefficient is  0.46613508D+02

 Leave Link  801 at Fri Jul 16 13:11:39 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6343 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          21
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 2.35D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.96D-01 7.80D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 5.02D-02 2.82D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 2.92D-03 9.90D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 1.13D-04 2.84D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 2.17D-05 7.07D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 4.07D-07 1.42D-04.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 7.03D-09 1.00D-05.
      9 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 1.07D-10 1.48D-06.
      5 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 8.72D-13 1.15D-07.
      1 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 1.13D-14 1.48D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension   103 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.121180D+03
      2 -0.268695D-03  0.978739D+02
      3  0.139500D+01  0.151271D-03  0.926550D+02
 Isotropic polarizability for W=    0.085645      103.90 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.171296D-01 -0.260066D+02 -0.360630D-02
      2   0.498316D-02 -0.752521D+01 -0.108497D-01
      3   0.121464D-01  0.335318D+02  0.144560D-01
      4  -0.273914D+02 -0.126704D-02 -0.100500D+01
      5  -0.299112D-02  0.203272D+01  0.125724D-01
      6  -0.196256D+01 -0.130308D-01  0.171665D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.819731D+01 -0.324257D-03  0.146788D+01
      2  -0.167391D-02 -0.286611D+01  0.342326D-02
      3   0.262305D+02 -0.610159D-03 -0.336933D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.303772D+01 -0.218107D-02  0.163653D+02
      2  -0.615184D-03  0.957558D+00  0.425956D-03
      3  -0.138487D+01  0.625019D-02 -0.399528D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.235829D+01  0.150010D-03 -0.505204D+01
      2   0.150010D-03  0.265338D+01  0.131242D-03
      3  -0.505204D+01  0.131242D-03  0.166678D+01
 OR G Eigenvalues:    -5.7839     2.6534     5.0924  Iso=    -0.6540
 Eigenvectors:
   (1)   0.827671  -0.000023   0.561214
   (2)   0.000025   1.000000   0.000005
   (3)  -0.561214   0.000010   0.827671
 w=    0.085645 a.u., Optical Rotation Beta=     -0.6540 au.
 Molar Mass =    120.1938 grams/mole, [Alpha] ( 5320.0 A) =     -258.04 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   38226 ScalPx= 1.72D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   38226 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.93D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 3.68D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 4.93D-02 2.82D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 1.05D-03 4.69D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.84D-05 6.59D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 9.14D-08 4.72D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.08D-10 2.01D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 6.01D-13 1.12D-07.
      4 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 1.15D-15 4.48D-09.
      3 vectors produced by pass  8 Test12= 2.23D-14 2.78D-09 XBig12= 1.46D-15 4.68D-09.
      3 vectors produced by pass  9 Test12= 2.23D-14 2.78D-09 XBig12= 1.01D-14 1.26D-08.
      2 vectors produced by pass 10 Test12= 2.23D-14 2.78D-09 XBig12= 4.14D-15 6.78D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   222 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   38226 ScalPx= 8.43D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   38226 ScalPx= 8.43D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   38226 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.78D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.121180D+03 -0.268695D-03  0.139500D+01
      2  -0.268695D-03  0.978739D+02  0.151271D-03
      3   0.139500D+01  0.151271D-03  0.926550D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.819731D+01 -0.324257D-03  0.146788D+01
      2  -0.167391D-02 -0.286611D+01  0.342326D-02
      3   0.262305D+02 -0.610159D-03 -0.336933D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.171296D-01 -0.260066D+02 -0.360630D-02
      2   0.498316D-02 -0.752521D+01 -0.108497D-01
      3   0.121464D-01  0.335318D+02  0.144560D-01
      4  -0.273914D+02 -0.126704D-02 -0.100500D+01
      5  -0.299112D-02  0.203272D+01  0.125724D-01
      6  -0.196256D+01 -0.130308D-01  0.171665D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.374038D+01  0.328477D+01 -0.550055D+01 -0.129842D+01 -0.342978D+01
      2   0.328477D+01 -0.445821D+01  0.968630D+00 -0.342978D+01 -0.276686D+01
      3  -0.550055D+01  0.968630D+00  0.290268D+01  0.200375D+01 -0.124563D+01
                 6             7             8             9            10 
      1   0.200375D+01 -0.193289D+01 -0.122799D+01  0.188930D+01 -0.270559D+00
      2  -0.124563D+01 -0.122799D+01 -0.252315D+01  0.229765D+01  0.850295D+00
      3   0.319946D+01  0.188930D+01  0.229765D+01  0.296621D+01 -0.135178D+01
                11            12            13            14            15 
      1   0.850295D+00 -0.135178D+01  0.279801D+01 -0.988714D+00 -0.305904D+01
      2   0.125626D+00  0.664087D+00 -0.988714D+00  0.114016D+01  0.122085D+01
      3   0.664087D+00 -0.183059D+00 -0.305904D+01  0.122085D+01 -0.135527D+01
                16            17            18            19            20 
      1  -0.558403D+01 -0.109844D+01  0.147192D+01 -0.131683D-02 -0.849719D+00
      2  -0.109844D+01  0.300371D+01 -0.103872D+01 -0.849719D+00  0.783452D-04
      3   0.147192D+01 -0.103872D+01  0.242499D-01 -0.343150D-04 -0.469003D-01
                21            22            23            24            25 
      1  -0.343150D-04  0.189729D+01 -0.187664D-02  0.356397D+01  0.825290D-03
      2  -0.469003D-01 -0.187664D-02  0.862109D+00  0.819777D-04  0.537399D+01
      3   0.110326D-03  0.356397D+01  0.819777D-04 -0.233790D+01  0.209887D-02
                26            27            28            29            30 
      1   0.537399D+01  0.209887D-02  0.226949D+00 -0.356766D+01  0.304891D+01
      2   0.311270D-03 -0.100044D+01 -0.356766D+01 -0.404765D+00 -0.371078D+00
      3  -0.100044D+01 -0.137020D-02  0.304891D+01 -0.371078D+00  0.207750D+01
                31            32            33            34            35 
      1  -0.663792D+01  0.259297D+01 -0.353191D+00  0.417705D+01  0.156708D+01
      2   0.259297D+01  0.202729D+01  0.322875D+01  0.156708D+01  0.182297D+01
      3  -0.353191D+00  0.322875D+01  0.237212D+01  0.553302D+00  0.169011D+01
                36            37            38            39            40 
      1   0.553302D+00  0.160211D+01 -0.305718D+01  0.816067D+00 -0.190004D+01
      2   0.169011D+01 -0.305718D+01  0.322738D+01 -0.344636D+01  0.242304D+01
      3  -0.348337D+01  0.816067D+00 -0.344636D+01 -0.350128D+01 -0.101931D+01
                41            42            43            44            45 
      1   0.242304D+01 -0.101931D+01  0.292760D+01 -0.453613D+01 -0.284012D+01
      2  -0.156921D+01 -0.230528D+01 -0.453613D+01 -0.206452D+01  0.234698D-01
      3  -0.230528D+01 -0.313839D+00 -0.284012D+01  0.234698D-01  0.752731D+00
                46            47            48            49            50 
      1  -0.373967D+01  0.328210D+01  0.550013D+01 -0.129870D+01  0.343037D+01
      2   0.328210D+01  0.445760D+01  0.970009D+00  0.343037D+01 -0.276797D+01
      3   0.550013D+01  0.970009D+00 -0.290470D+01  0.200559D+01  0.124284D+01
                51            52            53            54            55 
      1   0.200559D+01  0.193116D+01 -0.122722D+01 -0.189190D+01  0.276504D+00
      2   0.124284D+01 -0.122722D+01  0.252031D+01  0.229868D+01  0.850512D+00
      3   0.319944D+01 -0.189190D+01  0.229868D+01 -0.296241D+01  0.135223D+01
                56            57            58            59            60 
      1   0.850512D+00  0.135223D+01  0.279623D+01  0.990092D+00 -0.305830D+01
      2  -0.126433D+00  0.663657D+00  0.990092D+00  0.114287D+01 -0.121925D+01
      3   0.663657D+00  0.183297D+00 -0.305830D+01 -0.121925D+01 -0.135511D+01
                61            62            63            64            65 
      1   0.558479D+01 -0.109824D+01 -0.147401D+01 -0.160403D+01 -0.306093D+01
      2  -0.109824D+01 -0.300240D+01 -0.104039D+01 -0.306093D+01 -0.322360D+01
      3  -0.147401D+01 -0.104039D+01 -0.255051D-01 -0.815266D+00 -0.344800D+01
                66            67            68            69            70 
      1  -0.815266D+00 -0.190139D+01 -0.241976D+01 -0.102076D+01 -0.292656D+01
      2  -0.344800D+01 -0.241976D+01 -0.157128D+01  0.230621D+01 -0.453675D+01
      3   0.349829D+01 -0.102076D+01  0.230621D+01 -0.310853D+00  0.283811D+01
                71            72            73            74            75 
      1  -0.453675D+01  0.283811D+01 -0.233725D+00 -0.356652D+01 -0.305131D+01
      2   0.206594D+01  0.280327D-01 -0.356652D+01  0.405563D+00 -0.368686D+00
      3   0.280327D-01 -0.756534D+00 -0.305131D+01 -0.368686D+00 -0.207430D+01
                76            77            78            79            80 
      1  -0.663643D+01 -0.259363D+01 -0.351580D+00 -0.417977D+01  0.156875D+01
      2  -0.259363D+01  0.203025D+01 -0.322883D+01  0.156875D+01 -0.182364D+01
      3  -0.351580D+00 -0.322883D+01  0.236861D+01 -0.548743D+00  0.168720D+01
                81            82            83            84            85 
      1  -0.548743D+00  0.165865D+01  0.158628D+01 -0.179361D+00  0.301050D+01
      2   0.168720D+01  0.158628D+01  0.333874D+01 -0.849067D+00  0.308026D+01
      3   0.348756D+01 -0.179361D+00 -0.849067D+00  0.370597D+00 -0.977808D+00
                86            87            88            89            90 
      1   0.308026D+01 -0.977808D+00  0.104367D+01 -0.230429D-01  0.233405D+00
      2   0.976322D+01 -0.212863D+01 -0.230429D-01  0.473645D+00  0.116064D+01
      3  -0.212863D+01  0.179612D+01  0.233405D+00  0.116064D+01 -0.121834D+01
                91            92            93            94            95 
      1  -0.966841D+00 -0.768464D-01 -0.332956D+00 -0.989485D+00  0.570146D+00
      2  -0.768464D-01  0.190392D+00  0.416193D-01  0.570146D+00  0.465584D+00
      3  -0.332956D+00  0.416193D-01 -0.174564D+01 -0.280596D+00 -0.114800D+01
                96            97            98            99           100 
      1  -0.280596D+00 -0.173125D+01  0.634954D-01 -0.205678D+00  0.897333D+00
      2  -0.114800D+01  0.634954D-01 -0.157597D+01  0.108122D+01  0.632800D+00
      3  -0.183773D+01 -0.205678D+00  0.108122D+01 -0.103018D+02  0.786257D+00
               101           102           103           104           105 
      1   0.632800D+00  0.786257D+00  0.685986D+00  0.326091D+00  0.178797D+00
      2  -0.251313D+00  0.260491D+00  0.326091D+00 -0.577912D+00  0.647839D+00
      3   0.260491D+00 -0.453833D+00  0.178797D+00  0.647839D+00 -0.988461D+00
               106           107           108           109           110 
      1   0.262392D+01 -0.344132D+00  0.279593D+01  0.108766D+02  0.286857D+01
      2  -0.344132D+00  0.116697D+01 -0.767387D+00  0.286857D+01  0.179873D+01
      3   0.279593D+01 -0.767387D+00  0.944500D+01  0.524545D+00  0.176446D+00
               111           112           113           114           115 
      1   0.524545D+00  0.527234D+01  0.193547D+01  0.300159D+00 -0.213152D+01
      2   0.176446D+00  0.193547D+01  0.142780D+01 -0.192725D+00 -0.369788D+00
      3   0.111978D+01  0.300159D+00 -0.192725D+00  0.630512D+00  0.144338D+01
               116           117           118           119           120 
      1  -0.369788D+00  0.144338D+01 -0.123500D+01 -0.540142D+00  0.686864D-01
      2  -0.896212D+00  0.242694D+00 -0.540142D+00 -0.290019D+01  0.946450D+00
      3   0.242694D+00  0.500408D+00  0.686864D-01  0.946450D+00 -0.304822D+00
               121           122           123           124           125 
      1  -0.129014D+01 -0.346675D+00  0.405889D+00  0.745026D+00  0.734950D+00
      2  -0.346675D+00 -0.778391D+01  0.106881D+01  0.734950D+00  0.235225D+01
      3   0.405889D+00  0.106881D+01 -0.126708D+01  0.344457D+00 -0.155439D+01
               126           127           128           129           130 
      1   0.344457D+00  0.345720D+01 -0.155489D+01 -0.226588D+01 -0.598712D+00
      2  -0.155439D+01 -0.155489D+01  0.132690D+01  0.163211D+01  0.121091D+01
      3   0.891793D+00 -0.226588D+01  0.163211D+01  0.276748D+01  0.101885D+01
               131           132           133           134           135 
      1   0.121091D+01  0.101885D+01 -0.418434D+01  0.254668D+01  0.348279D+01
      2  -0.255683D+01 -0.141651D+01  0.254668D+01 -0.273618D+01 -0.263473D+01
      3  -0.141651D+01 -0.106699D+01  0.348279D+01 -0.263473D+01 -0.528458D+01
               136           137           138           139           140 
      1   0.968154D+00 -0.768259D-01  0.333082D+00 -0.989907D+00 -0.569878D+00
      2  -0.768259D-01 -0.189916D+00  0.415504D-01 -0.569878D+00  0.464847D+00
      3   0.333082D+00  0.415504D-01  0.174773D+01 -0.281084D+00  0.114836D+01
               141           142           143           144           145 
      1  -0.281084D+00  0.173105D+01  0.635787D-01  0.207806D+00 -0.165919D+01
      2   0.114836D+01  0.635787D-01  0.157555D+01  0.107951D+01  0.158625D+01
      3  -0.183865D+01  0.207806D+00  0.107951D+01  0.103001D+02  0.179972D+00
               146           147           148           149           150 
      1   0.158625D+01  0.179972D+00  0.301077D+01 -0.307983D+01 -0.978435D+00
      2  -0.333858D+01 -0.849798D+00 -0.307983D+01  0.976094D+01  0.213014D+01
      3  -0.849798D+00 -0.371003D+00 -0.978435D+00  0.213014D+01  0.179677D+01
               151           152           153           154           155 
      1  -0.104253D+01 -0.235803D-01 -0.233359D+00  0.123350D+01 -0.539165D+00
      2  -0.235803D-01 -0.471368D+00  0.116073D+01 -0.539165D+00  0.289727D+01
      3  -0.233359D+00  0.116073D+01  0.121918D+01 -0.691310D-01  0.947273D+00
               156           157           158           159           160 
      1  -0.691310D-01 -0.128964D+01  0.344696D+00  0.405968D+00 -0.746186D+00
      2   0.947273D+00  0.344696D+00 -0.778321D+01 -0.107197D+01  0.734473D+00
      3   0.305185D+00  0.405968D+00 -0.107197D+01 -0.126810D+01 -0.344306D+00
               161           162           163           164           165 
      1   0.734473D+00 -0.344306D+00 -0.345364D+01 -0.155390D+01  0.226414D+01
      2  -0.235624D+01 -0.155641D+01 -0.155390D+01 -0.132702D+01  0.163214D+01
      3  -0.155641D+01 -0.893964D+00  0.226414D+01  0.163214D+01 -0.276558D+01
               166           167           168           169           170 
      1  -0.599192D+00 -0.121166D+01  0.101933D+01  0.418321D+01  0.254712D+01
      2  -0.121166D+01 -0.255866D+01  0.141697D+01  0.254712D+01  0.273751D+01
      3   0.101933D+01  0.141697D+01 -0.106813D+01 -0.348146D+01 -0.263618D+01
               171           172           173           174           175 
      1  -0.348146D+01 -0.898813D+00  0.633091D+00 -0.786646D+00  0.686945D+00
      2  -0.263618D+01  0.633091D+00  0.250594D+00  0.260038D+00 -0.326461D+00
      3   0.528521D+01 -0.786646D+00  0.260038D+00  0.451079D+00  0.179009D+00
               176           177           178           179           180 
      1  -0.326461D+00  0.179009D+00 -0.262539D+01 -0.343710D+00 -0.279898D+01
      2  -0.577062D+00 -0.647538D+00 -0.343710D+00 -0.116677D+01 -0.764711D+00
      3  -0.647538D+00 -0.985736D+00 -0.279898D+01 -0.764711D+00 -0.944584D+01
               181           182           183           184           185 
      1  -0.108746D+02  0.286911D+01 -0.521108D+00  0.527189D+01 -0.193579D+01
      2   0.286911D+01 -0.179886D+01  0.175389D+00 -0.193579D+01  0.142783D+01
      3  -0.521108D+00  0.175389D+00 -0.111953D+01  0.298794D+00  0.193503D+00
               186           187           188           189 
      1   0.298794D+00  0.213617D+01 -0.371086D+00 -0.144396D+01
      2   0.193503D+00 -0.371086D+00  0.897296D+00  0.243408D+00
      3   0.630814D+00 -0.144396D+01  0.243408D+00 -0.498828D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.409677D+01  0.502360D+01 -0.654317D+01  0.535419D+01  0.881550D+01
      2  -0.199007D+01  0.221213D+01  0.210735D+01  0.425470D+01 -0.743165D+01
      3   0.187548D+00  0.414147D+01 -0.661607D+01  0.582791D+01 -0.242625D+01
                 6             7             8             9            10 
      1  -0.790278D+01 -0.325227D+01  0.405494D+01 -0.100127D+02 -0.269386D+00
      2   0.564152D+01 -0.471963D+01  0.206201D+01  0.648934D+01 -0.778301D+00
      3   0.341220D+01 -0.586385D+01  0.218369D+01  0.968412D+00  0.430703D+01
                11            12            13            14            15 
      1   0.112186D+01  0.255224D+01 -0.255105D+01  0.640080D+00 -0.423063D+01
      2  -0.140344D+00  0.396436D+01 -0.224263D+01  0.213076D+01 -0.535645D+01
      3  -0.829843D+01 -0.164356D+00  0.135351D+02 -0.340868D+01 -0.177621D+01
                16            17            18            19            20 
      1  -0.762999D+01  0.441360D+01  0.177792D+00  0.145833D-02 -0.215368D+01
      2  -0.965475D+01  0.234834D+01 -0.345166D-01 -0.398951D+01 -0.844786D-03
      3  -0.656904D+00 -0.636081D+01  0.296448D+01 -0.592044D-03 -0.579811D+01
                21            22            23            24            25 
      1  -0.944159D-04  0.383914D+01 -0.539833D-03 -0.868164D+00 -0.119127D-02
      2   0.651501D+01  0.726688D-05 -0.550990D+00  0.366888D-03 -0.144343D+02
      3   0.206670D-03  0.146452D+02 -0.285782D-02 -0.553116D+00  0.334542D-03
                26            27            28            29            30 
      1   0.349554D+01  0.200255D-02 -0.379858D+01  0.119114D+01  0.198368D+00
      2  -0.465143D-03  0.113292D+01  0.132300D+02  0.245547D+01  0.868297D+01
      3   0.595231D+01  0.219264D-02  0.964588D+01 -0.231121D+01  0.649044D+00
                31            32            33            34            35 
      1  -0.182791D+01  0.410319D+01  0.327569D+00  0.272149D+01  0.491671D+01
      2   0.426291D+01  0.963950D+01  0.778439D+01 -0.590567D+01  0.403569D+01
      3  -0.298156D+01 -0.826459D+01 -0.931790D+01 -0.335945D+01 -0.832875D+01
                36            37            38            39            40 
      1   0.276683D+01  0.188158D+01 -0.832716D+01 -0.410429D+01 -0.464714D+01
      2  -0.132092D+02 -0.721328D+00 -0.749223D+01 -0.569313D+01 -0.450771D+01
      3  -0.667968D+01  0.824767D+01 -0.910042D+01  0.745082D+01  0.116385D+01
                41            42            43            44            45 
      1  -0.493467D+01 -0.291446D+01 -0.623691D+01  0.648753D+01  0.147158D+01
      2  -0.381279D+01 -0.226460D+01 -0.729478D+01 -0.182212D+01 -0.128223D+00
      3  -0.110594D+01  0.975760D+01  0.928535D+01  0.130626D+02  0.666167D+01
                46            47            48            49            50 
      1  -0.409830D+01  0.502245D+01  0.654827D+01  0.535335D+01 -0.881332D+01
      2  -0.198980D+01 -0.221123D+01  0.210889D+01 -0.425445D+01 -0.742946D+01
      3  -0.188204D+00  0.413703D+01  0.661613D+01  0.582429D+01  0.242455D+01
                51            52            53            54            55 
      1  -0.790605D+01  0.326015D+01  0.404947D+01  0.100069D+02  0.269418D+00
      2  -0.564365D+01 -0.471643D+01 -0.206525D+01  0.648780D+01 -0.778770D+00
      3   0.341138D+01  0.586260D+01  0.218278D+01 -0.970845D+00 -0.430576D+01
                56            57            58            59            60 
      1   0.112114D+01 -0.255237D+01 -0.255288D+01 -0.640465D+00 -0.422993D+01
      2   0.140921D+00  0.396446D+01  0.224218D+01  0.212840D+01  0.535579D+01
      3  -0.829950D+01  0.164075D+00  0.135361D+02  0.341332D+01 -0.177240D+01
                61            62            63            64            65 
      1   0.762960D+01  0.441250D+01 -0.176601D+00 -0.187849D+01 -0.832579D+01
      2  -0.965294D+01 -0.234520D+01 -0.326620D-01 -0.721794D+00  0.749773D+01
      3   0.658288D+00 -0.635891D+01 -0.296807D+01 -0.825572D+01 -0.908407D+01
                66            67            68            69            70 
      1   0.410074D+01 -0.464619D+01  0.493611D+01 -0.290795D+01  0.623541D+01
      2  -0.568695D+01  0.451072D+01 -0.381816D+01  0.225741D+01 -0.729032D+01
      3  -0.745841D+01  0.117895D+01  0.109378D+01  0.976451D+01 -0.928895D+01
                71            72            73            74            75 
      1   0.649633D+01 -0.147542D+01  0.379666D+01  0.119048D+01 -0.199316D+00
      2   0.180966D+01 -0.116681D+00  0.132325D+02 -0.246191D+01  0.867071D+01
      3   0.130699D+02 -0.664670D+01 -0.964325D+01 -0.231231D+01 -0.641826D+00
                76            77            78            79            80 
      1  -0.182695D+01 -0.410314D+01  0.325206D+00 -0.272404D+01  0.491396D+01
      2  -0.426656D+01  0.964001D+01 -0.777237D+01 -0.592246D+01 -0.402374D+01
      3  -0.298570D+01  0.827647D+01 -0.932017D+01  0.336291D+01 -0.833088D+01
                81            82            83            84            85 
      1  -0.276401D+01 -0.258474D+01 -0.367753D+01 -0.312923D+00 -0.259154D+01
      2  -0.132193D+02  0.191762D+01  0.101495D+01  0.103869D+01  0.269260D+01
      3   0.666968D+01  0.125194D+01 -0.308172D+01  0.852285D+00  0.435306D+01
                86            87            88            89            90 
      1  -0.111103D+02 -0.222714D+01 -0.375705D+00 -0.143818D+01  0.373700D+00
      2   0.175137D+01  0.150717D+01 -0.107370D+00  0.128553D+01 -0.957787D+00
      3  -0.475883D+01  0.561593D+00  0.142108D+01 -0.173315D+00 -0.709111D+00
                91            92            93            94            95 
      1   0.161113D+01 -0.243422D-01  0.309585D+01 -0.389898D+00  0.140101D+01
      2  -0.289056D+01 -0.330355D+00 -0.113862D+01 -0.199421D+01 -0.704265D+00
      3  -0.791556D+00 -0.432849D+00 -0.439990D+00 -0.448624D+00  0.602890D-01
                96            97            98            99           100 
      1   0.331442D+01  0.378344D+00  0.357434D+01  0.138134D+02  0.108248D+01
      2  -0.279145D+01 -0.605682D+01  0.106525D+01 -0.110780D+02  0.252145D+01
      3   0.453933D+00 -0.242537D+01  0.115303D+01 -0.142402D+01 -0.145912D+01
               101           102           103           104           105 
      1  -0.523553D-01  0.341979D+00  0.247088D+00 -0.748353D+00 -0.604338D+00
      2   0.210106D+00 -0.153695D+01 -0.432568D+00  0.187198D+01 -0.324796D+01
      3  -0.110693D+00 -0.110894D+01 -0.381526D+00  0.149755D+01 -0.158828D+01
               106           107           108           109           110 
      1   0.691909D-01  0.400834D+01  0.141767D+01  0.341121D+01  0.174767D+01
      2   0.273658D+01 -0.191549D+01  0.266914D+02 -0.680977D+01 -0.145968D+01
      3   0.758788D+00 -0.377229D+01  0.203333D+01 -0.839404D+01 -0.844805D+01
               111           112           113           114           115 
      1  -0.644133D+00  0.227187D+01  0.131966D+01 -0.101951D+01 -0.438295D+00
      2   0.564377D+01 -0.270229D+01 -0.218300D+01  0.255296D+01  0.482484D+01
      3  -0.703774D+00 -0.356473D+01 -0.453852D+01  0.557293D+00  0.841840D+00
               116           117           118           119           120 
      1   0.336589D+00  0.738457D+00  0.100686D+01  0.270910D+01 -0.169405D+01
      2   0.124070D+01  0.439117D+00  0.650051D+00  0.133880D+01 -0.103090D+00
      3   0.263959D+01 -0.742802D+00  0.577436D+01  0.812265D+01 -0.304775D+01
               121           122           123           124           125 
      1   0.576058D+00  0.440540D+01 -0.500357D+01  0.463153D+00 -0.260692D+01
      2   0.638435D+00  0.182887D+01 -0.203515D+01 -0.213919D+00 -0.302863D+01
      3   0.589104D+01  0.207975D+02 -0.350030D+01 -0.382986D+01 -0.751026D+01
               126           127           128           129           130 
      1   0.256901D+01 -0.352241D+01  0.136473D+01  0.446350D+01  0.129019D+01
      2   0.139836D+01 -0.278451D+01  0.334613D+01  0.694170D+01  0.172271D+01
      3   0.379978D+01 -0.157330D+01 -0.205058D+01 -0.990266D+00 -0.420860D+00
               131           132           133           134           135 
      1  -0.819151D+00 -0.246976D+01  0.438220D+01 -0.102415D+01 -0.802273D+01
      2  -0.281467D+01 -0.259678D+01  0.331179D+01 -0.453953D+01 -0.105257D+02
      3   0.525360D+01  0.206418D+01  0.105137D+00  0.412973D+01  0.153461D+01
               136           137           138           139           140 
      1  -0.161210D+01 -0.224793D-01 -0.309858D+01 -0.388826D+00 -0.140238D+01
      2  -0.289412D+01  0.330507D+00 -0.114084D+01  0.199631D+01 -0.704871D+00
      3   0.792604D+00 -0.432401D+00  0.440253D+00 -0.448429D+00 -0.606552D-01
               141           142           143           144           145 
      1   0.331582D+01 -0.381481D+00  0.357698D+01 -0.138087D+02  0.258469D+01
      2   0.279289D+01 -0.605984D+01 -0.106326D+01 -0.110770D+02  0.191829D+01
      3   0.453299D+00  0.242386D+01  0.115155D+01  0.142434D+01 -0.125239D+01
               146           147           148           149           150 
      1  -0.367794D+01  0.312095D+00 -0.259094D+01  0.111087D+02 -0.222437D+01
      2  -0.101465D+01  0.103842D+01 -0.269356D+01  0.175129D+01 -0.150655D+01
      3  -0.308132D+01 -0.852565D+00  0.435283D+01  0.475594D+01  0.561658D+00
               151           152           153           154           155 
      1   0.374383D+00 -0.143464D+01 -0.374551D+00 -0.100674D+01  0.270749D+01
      2  -0.108639D+00 -0.128478D+01 -0.958641D+00  0.652773D+00 -0.134151D+01
      3  -0.141987D+01 -0.171885D+00  0.709290D+00 -0.576690D+01  0.811323D+01
               156           157           158           159           160 
      1   0.169379D+01  0.575391D+00 -0.440545D+01 -0.500585D+01 -0.463346D+00
      2  -0.104447D+00 -0.640663D+00  0.183695D+01  0.203837D+01 -0.215179D+00
      3   0.305071D+01  0.588475D+01 -0.207925D+02 -0.350885D+01  0.383137D+01
               161           162           163           164           165 
      1  -0.261027D+01 -0.257383D+01  0.352066D+01  0.136605D+01 -0.446154D+01
      2   0.303377D+01  0.140286D+01 -0.278383D+01 -0.334730D+01  0.693819D+01
      3  -0.752019D+01 -0.380583D+01  0.157130D+01 -0.205154D+01  0.992918D+00
               166           167           168           169           170 
      1   0.129117D+01  0.820060D+00 -0.247250D+01 -0.438181D+01 -0.102725D+01
      2  -0.172306D+01 -0.281542D+01  0.259922D+01  0.331045D+01  0.454309D+01
      3  -0.421521D+00 -0.525685D+01  0.206426D+01 -0.103482D+00  0.413119D+01
               171           172           173           174           175 
      1   0.802554D+01 -0.108213D+01 -0.506544D-01 -0.342372D+00  0.247268D+00
      2  -0.105287D+02  0.252014D+01 -0.208789D+00 -0.152821D+01  0.433110D+00
      3  -0.153912D+01  0.146062D+01 -0.113085D+00  0.110744D+01 -0.382514D+00
               176           177           178           179           180 
      1   0.747032D+00 -0.603538D+00 -0.692961D-01  0.400854D+01 -0.141514D+01
      2   0.187069D+01  0.324003D+01  0.274622D+01  0.190826D+01  0.266942D+02
      3  -0.149542D+01 -0.158729D+01 -0.759390D+00 -0.377286D+01 -0.202605D+01
               181           182           183           184           185 
      1  -0.341005D+01  0.174621D+01  0.646005D+00  0.227141D+01 -0.131912D+01
      2  -0.681432D+01  0.146218D+01  0.564576D+01  0.270403D+01 -0.218453D+01
      3   0.839203D+01 -0.844799D+01  0.700006D+00 -0.356395D+01  0.453804D+01
               186           187           188           189 
      1  -0.102051D+01  0.440288D+00  0.335918D+00 -0.739012D+00
      2  -0.255518D+01  0.482954D+01 -0.124370D+01  0.433450D+00
      3   0.559507D+00 -0.844425D+00  0.264376D+01  0.744440D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.868106D+01  0.154376D+02 -0.492906D+01  0.672461D+01 -0.203568D+01
      2  -0.147472D+01 -0.185567D+02  0.126417D+02 -0.109310D+02 -0.161036D+02
      3   0.101558D+02  0.311907D+01 -0.771260D+01  0.420635D+01  0.181392D+02
      4   0.704887D+01 -0.547815D+01 -0.371819D+01 -0.873718D+01 -0.176095D+02
      5  -0.148463D+02 -0.217758D+01  0.128961D+02  0.110644D+01  0.314399D+01
      6  -0.158973D+02  0.820666D+01  0.229969D+01  0.981494D+01  0.602020D+00
                 6             7             8             9            10 
      1   0.916792D+01  0.933401D+00  0.592061D+01  0.110437D+02  0.818795D+00
      2   0.123766D+01  0.431202D+01 -0.315771D+01  0.129055D+02 -0.247377D+01
      3  -0.104056D+02 -0.524542D+01 -0.276289D+01 -0.239491D+02  0.165497D+01
      4   0.121299D+01 -0.704443D+01 -0.318350D+01  0.761814D+01  0.464866D+01
      5   0.328562D+01  0.104396D+02  0.530589D+01 -0.265561D+01 -0.124649D+02
      6   0.691133D+01  0.493945D+01  0.752855D+01 -0.376748D+01  0.239820D+01
                11            12            13            14            15 
      1   0.555736D+00 -0.471371D+01 -0.404179D+00 -0.185614D+01 -0.557971D+01
      2   0.281110D+01  0.174844D+01  0.382182D+01  0.329835D+00  0.214973D+01
      3  -0.336684D+01  0.296527D+01 -0.341764D+01  0.152630D+01  0.342999D+01
      4  -0.118238D+01  0.471880D+01 -0.671513D+01  0.866057D+01  0.233809D+01
      5   0.636499D+01 -0.918265D+00 -0.179501D+01  0.625110D+00 -0.244390D+01
      6  -0.278370D+01  0.152854D+01 -0.454521D+01  0.207963D+01 -0.205624D+00
                16            17            18            19            20 
      1  -0.106202D+02 -0.358696D+01 -0.694967D+00 -0.356339D+01 -0.200090D-02
      2   0.511037D+01  0.233864D+01 -0.304138D+01  0.674930D+01 -0.205403D-03
      3   0.550988D+01  0.124832D+01  0.373634D+01 -0.318591D+01  0.220631D-02
      4   0.125009D+01  0.578946D+01 -0.219720D+01 -0.408940D-02 -0.161738D+00
      5  -0.475834D+00 -0.145542D+01  0.104180D+00  0.152315D+02  0.115344D-02
      6   0.519910D+01 -0.844903D+00  0.147309D+01  0.312260D-02  0.298666D+01
                21            22            23            24            25 
      1   0.172244D+01 -0.105997D-02 -0.159353D+01  0.209847D-02 -0.528014D+01
      2  -0.416179D+01 -0.190171D-02  0.426894D+01 -0.133947D-02  0.992777D+00
      3   0.243934D+01  0.296168D-02 -0.267541D+01 -0.759001D-03  0.428736D+01
      4   0.199995D-02 -0.269860D+01  0.213064D-02  0.323862D-01  0.522932D-02
      5  -0.909890D+01  0.596876D-02  0.108828D+00  0.369904D-03 -0.158997D+02
      6  -0.137441D-03  0.743965D+01  0.311921D-03 -0.208590D+01  0.101483D-02
                26            27            28            29            30 
      1  -0.132639D-03 -0.423095D+01 -0.123979D+02 -0.196543D+02  0.152990D+02
      2   0.821643D-03  0.161497D+01  0.177344D+01  0.927547D+01 -0.892250D+01
      3  -0.689004D-03  0.261598D+01  0.106245D+02  0.103788D+02 -0.637655D+01
      4   0.378883D+00 -0.539889D-03 -0.252927D+02 -0.247842D+01 -0.372315D+01
      5  -0.848564D-03  0.464216D+01  0.215847D+02 -0.449813D+01  0.133780D+02
      6  -0.123680D+01 -0.168673D-02 -0.563685D+01  0.987126D+00 -0.315536D+01
                31            32            33            34            35 
      1  -0.326782D+02  0.665154D+01 -0.109310D+01  0.265124D+02  0.363739D+01
      2   0.151617D+02 -0.645885D+01 -0.289713D+01 -0.114587D+02 -0.529469D+01
      3   0.175165D+02 -0.192693D+00  0.399023D+01 -0.150538D+02  0.165730D+01
      4   0.851525D+01  0.109968D+02  0.153891D+02  0.394483D+01  0.101684D+02
      5  -0.642709D+01  0.174907D+02  0.950795D+01  0.791981D+01  0.740621D+01
      6  -0.413709D+00  0.210462D+01  0.178362D+01 -0.204064D+01  0.157032D+01
                36            37            38            39            40 
      1   0.172673D+02  0.832208D+00 -0.523965D+01 -0.610016D+01 -0.255034D+01
      2   0.307260D+01  0.725680D+01 -0.874896D+01  0.452398D+01 -0.803079D+01
      3  -0.203399D+02 -0.808900D+01  0.139886D+02  0.157618D+01  0.105811D+02
      4   0.614073D+01 -0.113628D+02  0.138665D+02 -0.133525D+02  0.145983D+02
      5  -0.152108D+02  0.698837D+01 -0.153768D+02 -0.165512D+02 -0.658275D+01
      6   0.402133D+01 -0.342316D+00  0.866115D+01  0.898182D+01  0.548778D+01
                41            42            43            44            45 
      1   0.114851D+02 -0.103366D+02  0.187187D+01 -0.212306D+02 -0.122031D+02
      2  -0.529830D+01  0.121079D+02  0.125752D+01  0.173222D+02  0.878791D+01
      3  -0.618678D+01 -0.177127D+01 -0.312939D+01  0.390842D+01  0.341521D+01
      4  -0.177429D+02 -0.350503D+01 -0.195188D+02 -0.363804D+00  0.566317D+01
      5  -0.701213D+01  0.104930D+01 -0.149275D+02  0.280358D+01  0.851090D+01
      6   0.600566D+01 -0.185422D+01  0.117408D+02 -0.458274D+01 -0.386584D+01
                46            47            48            49            50 
      1  -0.868173D+01 -0.154325D+02 -0.492352D+01 -0.672681D+01 -0.203068D+01
      2  -0.148192D+01  0.185494D+02  0.126490D+02  0.109254D+02 -0.161009D+02
      3   0.101637D+02 -0.311690D+01 -0.772551D+01 -0.419859D+01  0.181316D+02
      4  -0.703582D+01 -0.548054D+01  0.371204D+01 -0.873906D+01  0.176079D+02
      5  -0.148435D+02  0.217106D+01  0.128968D+02 -0.111619D+01  0.315210D+01
      6   0.158894D+02  0.821009D+01 -0.229725D+01  0.982060D+01 -0.616070D+00
                51            52            53            54            55 
      1  -0.916783D+01  0.942460D+00 -0.591987D+01  0.110405D+02  0.802321D+00
      2  -0.124517D+01  0.431926D+01  0.314547D+01  0.128972D+02 -0.246576D+01
      3   0.104130D+02 -0.526172D+01  0.277440D+01 -0.239378D+02  0.166344D+01
      4   0.122197D+01  0.703836D+01 -0.317437D+01 -0.761934D+01 -0.465261D+01
      5  -0.328033D+01  0.104428D+02 -0.530465D+01 -0.267012D+01 -0.124680D+02
      6   0.690425D+01 -0.493993D+01  0.752361D+01  0.378042D+01 -0.239808D+01
                56            57            58            59            60 
      1  -0.558158D+00 -0.471359D+01  0.406232D+00 -0.186085D+01  0.557798D+01
      2  -0.280840D+01  0.175006D+01 -0.382081D+01  0.332449D+00 -0.214889D+01
      3   0.336656D+01  0.296353D+01  0.341457D+01  0.152840D+01 -0.342909D+01
      4  -0.117931D+01 -0.471828D+01 -0.671792D+01 -0.866634D+01  0.233399D+01
      5  -0.636279D+01 -0.919756D+00  0.179782D+01  0.622904D+00  0.244349D+01
      6  -0.278404D+01 -0.152857D+01 -0.454279D+01 -0.207596D+01 -0.203896D+00
                61            62            63            64            65 
      1  -0.106252D+02  0.358786D+01 -0.688067D+00  0.838812D+00  0.526406D+01
      2   0.511316D+01 -0.233943D+01 -0.304418D+01  0.725854D+01  0.872428D+01
      3   0.551205D+01 -0.124843D+01  0.373225D+01 -0.809736D+01 -0.139883D+02
      4  -0.125050D+01  0.578580D+01  0.220332D+01  0.113781D+02  0.138616D+02
      5  -0.467451D+00  0.146143D+01  0.109531D+00  0.697858D+01  0.153823D+02
      6  -0.519770D+01 -0.842709D+00 -0.147469D+01  0.340012D+00  0.866914D+01
                66            67            68            69            70 
      1  -0.610743D+01  0.256423D+01  0.114734D+02  0.103457D+02  0.186361D+01
      2   0.453681D+01  0.801406D+01 -0.528579D+01 -0.121171D+02  0.126847D+01
      3   0.157062D+01 -0.105783D+02 -0.618759D+01  0.177142D+01 -0.313207D+01
      4   0.133576D+02  0.145908D+02  0.177393D+02 -0.350331D+01  0.195192D+02
      5  -0.165367D+02  0.658763D+01 -0.701167D+01 -0.106002D+01 -0.149164D+02
      6  -0.897592D+01  0.549473D+01 -0.601222D+01 -0.186769D+01 -0.117371D+02
                71            72            73            74            75 
      1   0.212368D+02 -0.121791D+02 -0.123616D+02  0.196530D+02  0.153239D+02
      2  -0.173313D+02  0.876898D+01  0.175373D+01 -0.927338D+01 -0.892932D+01
      3  -0.390560D+01  0.341014D+01  0.106079D+02 -0.103796D+02 -0.639456D+01
      4  -0.365354D+00 -0.567686D+01  0.252882D+02 -0.248357D+01  0.370894D+01
      5  -0.282014D+01  0.852326D+01  0.216118D+02  0.448258D+01  0.133635D+02
      6  -0.459929D+01  0.387399D+01  0.562964D+01  0.985794D+00  0.314974D+01
                76            77            78            79            80 
      1   0.326740D+02  0.665364D+01  0.107766D+01  0.265403D+02 -0.365363D+01
      2  -0.151568D+02 -0.645897D+01  0.289908D+01 -0.114647D+02  0.529604D+01
      3  -0.175172D+02 -0.194672D+00 -0.397674D+01 -0.150756D+02 -0.164241D+01
      4   0.851405D+01 -0.110128D+02  0.153895D+02 -0.395767D+01  0.101709D+02
      5   0.640837D+01  0.174910D+02 -0.949567D+01  0.789227D+01 -0.739504D+01
      6  -0.414137D+00 -0.210871D+01  0.178602D+01  0.203702D+01  0.157210D+01
                81            82            83            84            85 
      1   0.172418D+02  0.328956D+01 -0.345519D+01  0.176603D+01 -0.265383D+01
      2   0.309176D+01  0.476228D+01  0.108771D+02 -0.283883D+01  0.109748D+02
      3  -0.203336D+02 -0.805184D+01 -0.742187D+01  0.107280D+01 -0.832092D+01
      4  -0.612935D+01  0.104794D+02  0.180486D+02 -0.342733D+01  0.163026D+02
      5  -0.152426D+02 -0.241164D+01 -0.492287D+01  0.359473D+01 -0.533671D+01
      6  -0.401312D+01 -0.254745D+01 -0.734317D+01  0.351797D+01 -0.814958D+01
                86            87            88            89            90 
      1  -0.237254D+02  0.690231D+01  0.268245D+01  0.779209D+00 -0.573226D+01
      2   0.457259D+02 -0.699480D+01 -0.783487D+00  0.386161D+01  0.211740D+01
      3  -0.220005D+02  0.924903D-01 -0.189896D+01 -0.464082D+01  0.361485D+01
      4   0.316710D+02 -0.751943D+01  0.179761D+01  0.111431D+01  0.353297D+01
      5  -0.854102D+01  0.504162D+01  0.140530D+01  0.318712D+01 -0.219324D+01
      6  -0.214472D+02  0.114140D+02  0.182193D+01  0.681473D+01 -0.385577D+01
                91            92            93            94            95 
      1  -0.534821D+00 -0.186432D+00 -0.533974D+01 -0.275378D+01 -0.399625D+01
      2  -0.258904D+01  0.110253D+01 -0.336284D+01  0.219677D+01  0.161733D+01
      3   0.312386D+01 -0.916102D+00  0.870258D+01  0.557018D+00  0.237892D+01
      4  -0.984374D+00  0.199089D+01 -0.146243D+01  0.253814D+01  0.193923D+01
      5   0.185497D+01 -0.383876D+00  0.508687D+01  0.174227D+01 -0.189020D+01
      6   0.410822D+00  0.267995D+00 -0.335232D+01 -0.148568D+01 -0.952565D+00
                96            97            98            99           100 
      1  -0.408419D+01 -0.247258D+01  0.565073D+01 -0.324549D+02  0.642768D+01
      2  -0.655162D+01 -0.766736D-01 -0.222636D+01 -0.217187D+02 -0.575125D+01
      3   0.106358D+02  0.254926D+01 -0.342437D+01  0.541736D+02 -0.676428D+00
      4  -0.194395D+01 -0.147238D+01 -0.307278D+01  0.822734D+00  0.292354D+01
      5  -0.226914D+01  0.532059D+01  0.141963D+01 -0.106486D+02  0.423526D+01
      6   0.526937D+01 -0.329640D+00  0.857377D+01 -0.164740D+02 -0.225828D+00
               101           102           103           104           105 
      1   0.219849D+01  0.682169D+01  0.445855D+01 -0.261293D+01  0.278630D+01
      2  -0.114097D+01 -0.219430D+01 -0.228706D+01  0.149566D+00  0.526551D+00
      3  -0.105752D+01 -0.462739D+01 -0.217149D+01  0.246336D+01 -0.331285D+01
      4   0.498357D+00  0.380151D+00  0.329410D+01 -0.276956D+01  0.317325D+01
      5   0.115331D+01  0.357592D+01  0.591252D+00  0.301486D+01 -0.442378D+01
      6  -0.861542D+00  0.427379D+00  0.186493D+01 -0.207709D+01  0.691819D+01
               106           107           108           109           110 
      1   0.674368D+01  0.158031D+01 -0.120209D+02  0.795576D+02  0.197878D+02
      2  -0.112227D+02  0.593700D+00 -0.224708D+02 -0.389594D+02 -0.924763D+01
      3   0.447902D+01 -0.217401D+01  0.344917D+02 -0.405982D+02 -0.105402D+02
      4  -0.131728D+01  0.600569D+01 -0.289512D+01  0.235823D+02  0.150477D+02
      5   0.196570D+02 -0.354930D+01  0.474678D+02  0.659958D+01  0.234885D+01
      6  -0.194721D+01  0.561558D+01 -0.711282D+01  0.275449D+01  0.138648D+01
               111           112           113           114           115 
      1   0.213981D+01  0.320990D+02  0.121405D+02  0.139039D+01 -0.148478D+02
      2  -0.241633D+01 -0.141344D+02 -0.287429D+01 -0.159198D+01  0.589199D+01
      3   0.276519D+00 -0.179646D+02 -0.926619D+01  0.201593D+00  0.895582D+01
      4   0.146114D+01  0.182319D+02  0.118395D+02 -0.751559D+00 -0.319849D+01
      5   0.984056D+01  0.437599D+01 -0.850090D+00  0.445080D+01  0.115757D+02
      6   0.674712D+00  0.183365D+01  0.108389D+01  0.166749D+01  0.436976D+00
               116           117           118           119           120 
      1  -0.256021D+01  0.654162D+01 -0.384780D+01 -0.989709D+01  0.234402D+01
      2   0.104717D+01 -0.560489D+01  0.424224D+01  0.141898D+02 -0.265224D+01
      3   0.151303D+01 -0.936729D+00 -0.394439D+00 -0.429267D+01  0.308214D+00
      4  -0.505810D+01  0.241482D+01  0.261645D+01 -0.266869D+01  0.181040D+01
      5   0.242372D+01  0.198201D+01 -0.344692D+00  0.305207D+01  0.437275D+00
      6   0.169283D+01 -0.833783D+00 -0.161250D+01 -0.289735D+01  0.180101D+01
               121           122           123           124           125 
      1  -0.593289D+01 -0.256924D+02  0.495767D+01  0.327703D+01  0.106986D+02
      2   0.489735D+01  0.403206D+02 -0.666414D+01 -0.257427D+01 -0.127203D+02
      3   0.103554D+01 -0.146282D+02  0.170647D+01 -0.702761D+00  0.202168D+01
      4   0.431849D+01 -0.202674D+02  0.156184D+01  0.996402D+00  0.491453D+01
      5   0.195799D+01  0.290060D+01 -0.521603D+01  0.378707D+01 -0.515905D+01
      6  -0.153318D+01 -0.642711D+01  0.710756D+01 -0.843205D+00  0.953791D+01
               126           127           128           129           130 
      1  -0.423462D+01  0.171002D+02 -0.496708D+01 -0.722141D+01 -0.853308D-01
      2   0.451388D+01 -0.105502D+02  0.197802D+01  0.508794D+01 -0.159495D+01
      3  -0.279264D+00 -0.654999D+01  0.298906D+01  0.213347D+01  0.168028D+01
      4  -0.416391D+01 -0.145045D+02  0.113748D+02  0.120622D+02  0.959381D+01
      5   0.201570D+01 -0.181164D+02  0.109524D+02  0.195382D+02  0.627318D+01
      6  -0.454916D+01  0.868655D+01 -0.711765D+01 -0.890914D+01 -0.589890D+01
               131           132           133           134           135 
      1  -0.218880D+01  0.705534D+00 -0.119062D+02  0.278709D+01  0.371583D+01
      2   0.571114D+01  0.147809D+01  0.858118D+01 -0.402134D+00 -0.102509D+02
      3  -0.352234D+01 -0.218362D+01  0.332507D+01 -0.238496D+01  0.653509D+01
      4  -0.134239D+02 -0.927549D+01  0.180443D+02 -0.165042D+02 -0.169352D+02
      5  -0.893768D+01 -0.670979D+01  0.238350D+02 -0.157331D+02 -0.309965D+02
      6   0.716268D+01  0.835983D+01 -0.129960D+02  0.136515D+02  0.184371D+02
               136           137           138           139           140 
      1  -0.535993D+00  0.185759D+00 -0.534465D+01  0.275501D+01 -0.399665D+01
      2  -0.258906D+01 -0.110095D+01 -0.336818D+01 -0.219498D+01  0.161563D+01
      3   0.312505D+01  0.915194D+00  0.871283D+01 -0.560026D+00  0.238101D+01
      4   0.984617D+00  0.198951D+01  0.146157D+01  0.253815D+01 -0.193754D+01
      5   0.185885D+01  0.383227D+00  0.508607D+01 -0.174214D+01 -0.188960D+01
      6  -0.411317D+00  0.269071D+00  0.335338D+01 -0.148540D+01  0.949899D+00
               141           142           143           144           145 
      1   0.408879D+01 -0.247703D+01 -0.564460D+01 -0.324533D+02  0.328988D+01
      2   0.655243D+01 -0.813305D-01  0.222789D+01 -0.217179D+02  0.476093D+01
      3  -0.106412D+02  0.255836D+01  0.341671D+01  0.541711D+02 -0.805082D+01
      4  -0.194388D+01  0.147101D+01 -0.307097D+01 -0.819348D+00 -0.104803D+02
      5   0.226832D+01  0.531782D+01 -0.141722D+01 -0.106359D+02 -0.241519D+01
      6   0.527034D+01  0.332664D+00  0.856968D+01  0.164571D+02  0.255129D+01
               146           147           148           149           150 
      1   0.345585D+01  0.176628D+01  0.265327D+01 -0.237215D+02 -0.690668D+01
      2  -0.108740D+02 -0.283981D+01 -0.109697D+02  0.457082D+02  0.699952D+01
      3   0.741811D+01  0.107353D+01  0.831641D+01 -0.219867D+02 -0.928442D-01
      4   0.180468D+02  0.343138D+01  0.162993D+02 -0.316610D+02 -0.752409D+01
      5   0.492668D+01  0.359685D+01  0.533978D+01 -0.854580D+01 -0.504442D+01
      6  -0.734680D+01 -0.352064D+01 -0.815368D+01  0.214571D+02  0.114193D+02
               151           152           153           154           155 
      1   0.268144D+01 -0.784411D+00 -0.573406D+01 -0.384298D+01  0.988657D+01
      2  -0.785325D+00 -0.385227D+01  0.211686D+01  0.423613D+01 -0.141745D+02
      3  -0.189612D+01  0.463668D+01  0.361720D+01 -0.393148D+00  0.428794D+01
      4  -0.179382D+01  0.110675D+01 -0.353350D+01 -0.261488D+01 -0.266441D+01
      5   0.140561D+01 -0.318817D+01 -0.219522D+01 -0.344290D+00 -0.305254D+01
      6  -0.182301D+01  0.681717D+01  0.385978D+01  0.161517D+01 -0.290354D+01
               156           157           158           159           160 
      1   0.234911D+01  0.592629D+01 -0.256837D+02 -0.496830D+01  0.328115D+01
      2  -0.265653D+01 -0.488767D+01  0.403089D+02  0.667746D+01 -0.257585D+01
      3   0.307428D+00 -0.103862D+01 -0.146252D+02 -0.170916D+01 -0.705299D+00
      4  -0.181059D+01  0.432298D+01  0.202755D+02  0.157080D+01 -0.992399D+00
      5   0.436585D+00 -0.195669D+01  0.290949D+01  0.521974D+01  0.378660D+01
      6  -0.180182D+01 -0.153376D+01  0.644760D+01  0.711412D+01  0.843033D+00
               161           162           163           164           165 
      1  -0.107101D+02 -0.424269D+01  0.170818D+02  0.496181D+01 -0.721349D+01
      2   0.127344D+02  0.452027D+01 -0.105374D+02 -0.197281D+01  0.507840D+01
      3  -0.202435D+01 -0.277577D+00 -0.654440D+01 -0.298900D+01  0.213509D+01
      4   0.492807D+01  0.417030D+01  0.144959D+02  0.113745D+02 -0.120603D+02
      5   0.516610D+01  0.202328D+01 -0.181010D+02 -0.109512D+02  0.195255D+02
      6   0.954807D+01  0.456043D+01 -0.868283D+01 -0.711717D+01  0.890532D+01
               166           167           168           169           170 
      1   0.852775D-01 -0.219194D+01 -0.704922D+00 -0.118993D+02 -0.278327D+01
      2   0.159699D+01  0.571712D+01 -0.147888D+01  0.857117D+01  0.397776D+00
      3  -0.168226D+01 -0.352518D+01  0.218380D+01  0.332810D+01  0.238549D+01
      4   0.959722D+01  0.134338D+02 -0.927799D+01 -0.180445D+02 -0.165103D+02
      5  -0.627538D+01 -0.893985D+01  0.671524D+01  0.238245D+02  0.157389D+02
      6  -0.590078D+01 -0.716748D+01  0.836494D+01  0.129954D+02  0.136592D+02
               171           172           173           174           175 
      1   0.370424D+01  0.643506D+01 -0.220267D+01  0.681832D+01 -0.446194D+01
      2  -0.102392D+02 -0.575710D+01  0.114275D+01 -0.220014D+01  0.228930D+01
      3   0.653498D+01 -0.677956D+00  0.105993D+01 -0.461818D+01  0.217263D+01
      4   0.169397D+02 -0.292521D+01  0.501719D+00 -0.379954D+00  0.329649D+01
      5  -0.309941D+02  0.424163D+01 -0.115253D+01  0.358941D+01 -0.593201D+00
      6  -0.184441D+02  0.224764D+00 -0.859502D+00 -0.424262D+00  0.186624D+01
               176           177           178           179           180 
      1  -0.260878D+01 -0.277943D+01  0.674650D+01 -0.157394D+01 -0.120021D+02
      2   0.147101D+00 -0.525128D+00 -0.112327D+02 -0.590782D+00 -0.224828D+02
      3   0.246168D+01  0.330456D+01  0.448623D+01  0.216473D+01  0.344849D+02
      4   0.276610D+01  0.317391D+01  0.131384D+01  0.600659D+01  0.288333D+01
      5   0.301575D+01  0.441176D+01  0.196772D+02  0.353751D+01  0.474882D+02
      6   0.207152D+01  0.691475D+01  0.194416D+01  0.561260D+01  0.709505D+01
               181           182           183           184           185 
      1   0.795462D+02 -0.197919D+02  0.211614D+01 -0.320979D+02  0.121418D+02
      2  -0.389501D+02  0.924822D+01 -0.240353D+01  0.141314D+02 -0.287354D+01
      3  -0.405961D+02  0.105437D+02  0.287383D+00  0.179664D+02 -0.926826D+01
      4  -0.235890D+02  0.150502D+02 -0.145331D+01  0.182359D+02 -0.118410D+02
      5   0.656566D+01 -0.234014D+01  0.983736D+01 -0.436150D+01 -0.857334D+00
      6  -0.274905D+01  0.138431D+01 -0.674153D+00  0.182926D+01 -0.108033D+01
               186           187           188           189 
      1  -0.138165D+01 -0.148778D+02  0.256891D+01  0.654603D+01
      2   0.158799D+01  0.590780D+01 -0.105088D+01 -0.560655D+01
      3  -0.206342D+00  0.896997D+01 -0.151803D+01 -0.939484D+00
      4  -0.758090D+00  0.320940D+01 -0.506596D+01 -0.241880D+01
      5  -0.445111D+01  0.115798D+02 -0.242747D+01  0.197060D+01
      6   0.166728D+01 -0.437466D+00  0.169265D+01  0.834273D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 13:30:18 2021, MaxMem=  5637144576 cpu:            8908.9 elap:            1119.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.19973 -10.19928 -10.19917 -10.18815 -10.18813
 Alpha  occ. eigenvalues --  -10.18807 -10.18806 -10.18792 -10.18792  -0.89956
 Alpha  occ. eigenvalues --   -0.86036  -0.80798  -0.76126  -0.60090  -0.59911
 Alpha  occ. eigenvalues --   -0.57651  -0.55921  -0.51904  -0.50428  -0.47748
 Alpha  occ. eigenvalues --   -0.47468  -0.45062  -0.44618  -0.38068  -0.36864
 Alpha  occ. eigenvalues --   -0.36826  -0.34748  -0.32709  -0.30828  -0.30528
 Alpha  occ. eigenvalues --   -0.27040  -0.26597  -0.26371
 Alpha virt. eigenvalues --    0.02096   0.03449   0.03867   0.04254   0.04987
 Alpha virt. eigenvalues --    0.06142   0.06262   0.07318   0.08097   0.08839
 Alpha virt. eigenvalues --    0.09974   0.10051   0.11495   0.11553   0.12469
 Alpha virt. eigenvalues --    0.14172   0.14293   0.15404   0.15797   0.16857
 Alpha virt. eigenvalues --    0.17473   0.17766   0.18141   0.18784   0.18950
 Alpha virt. eigenvalues --    0.20115   0.20413   0.20501   0.21444   0.22163
 Alpha virt. eigenvalues --    0.22237   0.24226   0.24245   0.26322   0.27662
 Alpha virt. eigenvalues --    0.28313   0.29604   0.29754   0.30214   0.31082
 Alpha virt. eigenvalues --    0.32169   0.32576   0.32920   0.33634   0.33681
 Alpha virt. eigenvalues --    0.33923   0.34585   0.34871   0.35532   0.35736
 Alpha virt. eigenvalues --    0.36037   0.36688   0.37587   0.37987   0.38238
 Alpha virt. eigenvalues --    0.39005   0.39364   0.39966   0.40320   0.40323
 Alpha virt. eigenvalues --    0.41182   0.41666   0.42362   0.42365   0.42391
 Alpha virt. eigenvalues --    0.42771   0.43701   0.44172   0.44292   0.44777
 Alpha virt. eigenvalues --    0.45227   0.45317   0.46257   0.46687   0.46856
 Alpha virt. eigenvalues --    0.47734   0.48199   0.48401   0.48715   0.48871
 Alpha virt. eigenvalues --    0.49039   0.50037   0.51369   0.51918   0.52048
 Alpha virt. eigenvalues --    0.52164   0.54199   0.54212   0.55030   0.55664
 Alpha virt. eigenvalues --    0.56019   0.57544   0.58680   0.59017   0.60319
 Alpha virt. eigenvalues --    0.60419   0.62947   0.63787   0.65904   0.66987
 Alpha virt. eigenvalues --    0.67573   0.68237   0.69241   0.70780   0.72032
 Alpha virt. eigenvalues --    0.72783   0.73361   0.74855   0.75236   0.76961
 Alpha virt. eigenvalues --    0.80376   0.82687   0.82986   0.85227   0.85935
 Alpha virt. eigenvalues --    0.86991   0.87969   0.89462   0.91926   0.94000
 Alpha virt. eigenvalues --    0.95517   0.95905   0.97296   0.97604   0.98299
 Alpha virt. eigenvalues --    0.99792   0.99860   1.00473   1.00490   1.01958
 Alpha virt. eigenvalues --    1.04502   1.04593   1.07961   1.08588   1.09527
 Alpha virt. eigenvalues --    1.12037   1.14294   1.15142   1.16502   1.16963
 Alpha virt. eigenvalues --    1.18562   1.19377   1.20258   1.20370   1.22686
 Alpha virt. eigenvalues --    1.23153   1.23686   1.25107   1.27225   1.29845
 Alpha virt. eigenvalues --    1.35430   1.36471   1.39713   1.40583   1.45811
 Alpha virt. eigenvalues --    1.46678   1.50237   1.51223   1.54640   1.54739
 Alpha virt. eigenvalues --    1.56482   1.58053   1.61862   1.62558   1.65868
 Alpha virt. eigenvalues --    1.67843   1.69604   1.73703   1.75096   1.75201
 Alpha virt. eigenvalues --    1.76306   1.77740   1.77969   1.79688   1.80548
 Alpha virt. eigenvalues --    1.80647   1.84662   1.85828   1.86721   1.86928
 Alpha virt. eigenvalues --    1.90238   1.93322   1.94490   1.98111   2.00744
 Alpha virt. eigenvalues --    2.01406   2.02110   2.02583   2.02693   2.04023
 Alpha virt. eigenvalues --    2.05917   2.06535   2.09727   2.11535   2.13353
 Alpha virt. eigenvalues --    2.13945   2.14780   2.15241   2.18867   2.19999
 Alpha virt. eigenvalues --    2.21472   2.23135   2.28682   2.28755   2.37623
 Alpha virt. eigenvalues --    2.39165   2.39395   2.39685   2.41918   2.44103
 Alpha virt. eigenvalues --    2.46245   2.49628   2.49982   2.50725   2.51032
 Alpha virt. eigenvalues --    2.52952   2.56582   2.59202   2.60193   2.63691
 Alpha virt. eigenvalues --    2.65508   2.66325   2.77925   2.78039   2.78734
 Alpha virt. eigenvalues --    2.79593   2.87851   2.93820   2.98053   2.99160
 Alpha virt. eigenvalues --    2.99304   3.00886   3.05797   3.06517   3.08746
 Alpha virt. eigenvalues --    3.11127   3.17753   3.19916   3.21060   3.23839
 Alpha virt. eigenvalues --    3.24843   3.28576   3.29864
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.829843  -0.329636  -0.505609  -0.076516  -0.068713  -0.082363
     2  C   -0.329636   7.499374  -0.014250  -0.045068  -0.137688  -0.016032
     3  C   -0.505609  -0.014250   7.956394  -0.125404  -0.085073  -0.505017
     4  C   -0.076516  -0.045068  -0.125404   5.175948  -0.130147  -0.043629
     5  C   -0.068713  -0.137688  -0.085073  -0.130147   5.166067   0.025077
     6  C   -0.082363  -0.016032  -0.505017  -0.043629   0.025077   5.828420
     7  C   -0.015956  -0.264379  -0.014871  -0.000091  -0.032187  -0.328731
     8  C    0.025084  -0.032229  -0.085146   0.000516   0.000941  -0.068606
     9  C   -0.043628  -0.000100  -0.125411   0.000251   0.000510  -0.076668
    10  H    0.140290   0.007297   0.000399  -0.073249   0.057251  -0.063640
    11  H   -0.212925   0.146945   0.148271   0.051839  -0.072849   0.038013
    12  H    0.047888   0.049245  -0.046212  -0.087231   0.187603   0.026564
    13  H   -0.076825  -0.005589  -0.006355   0.205387   0.034618  -0.005543
    14  H    0.055514  -0.002865  -0.048427   0.187858  -0.089339  -0.001548
    15  H   -0.087789   0.041758  -0.002545   0.010402   0.217873  -0.000325
    16  H    0.038122  -0.008631   0.147922   0.029978  -0.002097  -0.212872
    17  H   -0.063642  -0.001872   0.000622  -0.005906  -0.000204   0.140217
    18  H   -0.001562   0.032926  -0.048302  -0.000038   0.002556   0.055440
    19  H   -0.000321  -0.003740  -0.002541   0.000265   0.000854  -0.087768
    20  H    0.026562  -0.009697  -0.046210   0.000443   0.000372   0.047884
    21  H   -0.005542  -0.001522  -0.006335  -0.000085  -0.000271  -0.076849
               7          8          9         10         11         12
     1  C   -0.015956   0.025084  -0.043628   0.140290  -0.212925   0.047888
     2  C   -0.264379  -0.032229  -0.000100   0.007297   0.146945   0.049245
     3  C   -0.014871  -0.085146  -0.125411   0.000399   0.148271  -0.046212
     4  C   -0.000091   0.000516   0.000251  -0.073249   0.051839  -0.087231
     5  C   -0.032187   0.000941   0.000510   0.057251  -0.072849   0.187603
     6  C   -0.328731  -0.068606  -0.076668  -0.063640   0.038013   0.026564
     7  C    7.499081  -0.137788  -0.044953  -0.001867  -0.008427  -0.009684
     8  C   -0.137788   5.166449  -0.130433  -0.000201  -0.002107   0.000373
     9  C   -0.044953  -0.130433   5.176207  -0.005901   0.029952   0.000443
    10  H   -0.001867  -0.000201  -0.005901   1.619614  -0.411223   0.000309
    11  H   -0.008427  -0.002107   0.029952  -0.411223   1.657430  -0.003289
    12  H   -0.009684   0.000373   0.000443   0.000309  -0.003289   1.460865
    13  H   -0.001525  -0.000271  -0.000085   0.022242  -0.003273  -0.268125
    14  H    0.032922   0.002576  -0.000037  -0.002194  -0.002653  -0.009749
    15  H   -0.003738   0.000848   0.000264  -0.003502   0.025922   0.018377
    16  H    0.146972  -0.072832   0.051847  -0.005673  -0.000427  -0.003301
    17  H    0.007113   0.057295  -0.073343   0.036048  -0.005679   0.000334
    18  H   -0.002816  -0.089301   0.187804  -0.000245   0.001724   0.000487
    19  H    0.041775   0.217743   0.010527   0.000353  -0.001011   0.000232
    20  H    0.049304   0.187543  -0.087164   0.000335  -0.003296   0.000049
    21  H   -0.005676   0.034690   0.205352   0.000785   0.000919  -0.000007
              13         14         15         16         17         18
     1  C   -0.076825   0.055514  -0.087789   0.038122  -0.063642  -0.001562
     2  C   -0.005589  -0.002865   0.041758  -0.008631  -0.001872   0.032926
     3  C   -0.006355  -0.048427  -0.002545   0.147922   0.000622  -0.048302
     4  C    0.205387   0.187858   0.010402   0.029978  -0.005906  -0.000038
     5  C    0.034618  -0.089339   0.217873  -0.002097  -0.000204   0.002556
     6  C   -0.005543  -0.001548  -0.000325  -0.212872   0.140217   0.055440
     7  C   -0.001525   0.032922  -0.003738   0.146972   0.007113  -0.002816
     8  C   -0.000271   0.002576   0.000848  -0.072832   0.057295  -0.089301
     9  C   -0.000085  -0.000037   0.000264   0.051847  -0.073343   0.187804
    10  H    0.022242  -0.002194  -0.003502  -0.005673   0.036048  -0.000245
    11  H   -0.003273  -0.002653   0.025922  -0.000427  -0.005679   0.001724
    12  H   -0.268125  -0.009749   0.018377  -0.003301   0.000334   0.000487
    13  H    1.427237   0.022189  -0.032129   0.000920   0.000786  -0.000127
    14  H    0.022189   1.517749  -0.280931   0.001727  -0.000245   0.002517
    15  H   -0.032129  -0.280931   1.401378  -0.001012   0.000354  -0.000335
    16  H    0.000920   0.001727  -0.001012   1.658534  -0.411617  -0.002661
    17  H    0.000786  -0.000245   0.000354  -0.411617   1.620080  -0.002193
    18  H   -0.000127   0.002517  -0.000335  -0.002661  -0.002193   1.517525
    19  H    0.000015  -0.000338  -0.000274   0.025940  -0.003502  -0.280772
    20  H   -0.000007   0.000488   0.000231  -0.003282   0.000306  -0.009781
    21  H    0.000007  -0.000127   0.000015  -0.003282   0.022257   0.022208
              19         20         21
     1  C   -0.000321   0.026562  -0.005542
     2  C   -0.003740  -0.009697  -0.001522
     3  C   -0.002541  -0.046210  -0.006335
     4  C    0.000265   0.000443  -0.000085
     5  C    0.000854   0.000372  -0.000271
     6  C   -0.087768   0.047884  -0.076849
     7  C    0.041775   0.049304  -0.005676
     8  C    0.217743   0.187543   0.034690
     9  C    0.010527  -0.087164   0.205352
    10  H    0.000353   0.000335   0.000785
    11  H   -0.001011  -0.003296   0.000919
    12  H    0.000232   0.000049  -0.000007
    13  H    0.000015  -0.000007   0.000007
    14  H   -0.000338   0.000488  -0.000127
    15  H   -0.000274   0.000231   0.000015
    16  H    0.025940  -0.003282  -0.003282
    17  H   -0.003502   0.000306   0.022257
    18  H   -0.280772  -0.009781   0.022208
    19  H    1.401123   0.018356  -0.032095
    20  H    0.018356   1.460842  -0.268133
    21  H   -0.032095  -0.268133   1.427266
 Mulliken charges:
               1
     1  C    1.407726
     2  C   -0.904247
     3  C   -0.585900
     4  C    0.924477
     5  C    0.924845
     6  C    1.407973
     7  C   -0.904476
     8  C    0.924856
     9  C    0.924566
    10  H   -0.317229
    11  H   -0.373857
    12  H   -0.365173
    13  H   -0.313548
    14  H   -0.385089
    15  H   -0.304844
    16  H   -0.374274
    17  H   -0.317210
    18  H   -0.385054
    19  H   -0.304821
    20  H   -0.365145
    21  H   -0.313576
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.716640
     2  C   -0.904247
     3  C   -0.585900
     4  C    0.245756
     5  C    0.234912
     6  C    0.716490
     7  C   -0.904476
     8  C    0.234980
     9  C    0.245845
 Electronic spatial extent (au):  <R**2>=           1252.2834
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0001    Y=             -0.0066    Z=             -0.0000  Tot=              0.0066
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -55.9727   YY=            -55.5309   ZZ=            -54.3997
   XY=              0.0006   XZ=             -0.8665   YZ=              0.0003
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.6716   YY=             -0.2298   ZZ=              0.9014
   XY=              0.0006   XZ=             -0.8665   YZ=              0.0003
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0020  YYY=              1.0170  ZZZ=             -0.0010  XYY=             -0.0014
  XXY=              5.4428  XXZ=             -0.0002  XZZ=             -0.0005  YZZ=             -1.6107
  YYZ=             -0.0004  XYZ=              0.8931
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1140.0567 YYYY=           -352.3267 ZZZZ=           -250.5241 XXXY=             -0.0003
 XXXZ=            -15.2644 YYYX=              0.0069 YYYZ=              0.0046 ZZZX=              2.7052
 ZZZY=             -0.0033 XXYY=           -259.3046 XXZZ=           -232.2429 YYZZ=           -106.6077
 XXYZ=              0.0035 YYXZ=             -5.6034 ZZXY=              0.0004
 N-N= 4.312656317293D+02 E-N=-1.669728772681D+03  KE= 3.454918026434D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 13:30:20 2021, MaxMem=  5637144576 cpu:               5.1 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.25009523D-05 6.53947604D-04-1.57065588D-05
 Polarizability= 1.16205500D+02-2.55729108D-04 9.47190803D+01
                 1.21316547D+00 2.46043601D-04 9.01063663D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.6962   -0.6975       -0.0001   -0.0001
 2      0.6962    0.6975       -0.0001   -0.0001      -11.6538  -11.6529
 3      0.0001    0.0001       14.2656   14.2623        0.0001    0.0001
 4      0.0001    0.0001       -0.0000    0.0000        0.0001    0.0001
 5     -2.6118   -2.6094       -0.0001   -0.0001       -0.6969   -0.6975
 6     -0.0001   -0.0001        0.6969    0.6975       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.0925    2.0925       -0.0004   -0.0004
 2      0.0002    0.0002        0.0000    0.0000       -0.0004   -0.0004
 3      0.0002    0.0002        2.0925    2.0925        0.0000    0.0000
 4      2.0925    2.0925       -0.0002   -0.0002      -34.9586  -34.9586
 5      0.0004    0.0004       42.7869   42.7869        0.0002    0.0002
 6     -7.8283   -7.8283       -0.0004   -0.0004       -2.0925   -2.0925
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0002    0.0000        2.7023    2.7900        0.0009    0.0005
 2     -2.7369   -2.7900        0.0005    0.0003       46.3485   46.6115
 3     -0.0007   -0.0005      -57.0059  -57.0493       -0.0000   -0.0003
 4     -0.0004   -0.0003       -0.0323    0.0000       -0.0007   -0.0005
 5     10.4435   10.4378        0.0007    0.0005        2.8577    2.7900
 6      0.0002    0.0003       -2.8512   -2.7900       -0.0001    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0002    0.0000       27.7571   27.6984        0.0019    0.0020
 2    -27.6229  -27.6984        0.0028    0.0028       21.9713   22.1268
 3     -0.0019   -0.0020      -23.1164  -23.1333       -0.0036   -0.0028
 4     -0.0031   -0.0028       -0.1752    0.0000       -0.0024   -0.0020
 5      0.8714    1.0064        0.0020    0.0020       27.5436   27.6984
 6      0.0033    0.0028      -27.5563  -27.6984        0.0005    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0070   -0.0072       44.7930   44.5579        0.0101    0.0100
 2     -0.0142   -0.0138       59.6036   59.5383        0.0096    0.0100
 3     -0.0141   -0.0138       44.6240   44.5579        0.0068    0.0072
 4    -14.8877  -14.9804        0.0069    0.0067        4.1451    4.1603
 5     -0.0028   -0.0028      -13.9912  -14.0660       -0.0072   -0.0067
 6      9.7946    9.9057        0.0028    0.0028       15.0320   14.9804
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0001    0.0004    0.0007    3.2993    4.5562   10.3355
 Low frequencies ---   93.3868  127.1124  136.7425
 Diagonal vibrational polarizability:
        1.1232731       1.2289847       0.8238067
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     93.3867               127.1116               136.7420
 Red. masses --      3.4630                 2.6141                 2.4309
 Frc consts  --      0.0178                 0.0249                 0.0268
 IR Inten    --      0.0012                 0.0011                 0.0015
 RamAct Fr= 1--      0.9808                 0.1126                 0.4445
  Dep-P Fr= 1--      0.5502                 0.7500                 0.3433
  Dep-U Fr= 1--      0.7098                 0.8571                 0.5112
 Alpha2 Fr= 1--      0.0037                 0.0000                 0.0040
 Beta2  Fr= 1--      0.1160                 0.0161                 0.0379
 AlphaG Fr= 1--      0.0018                -0.0000                -0.0143
 Gamma2 Fr= 1--     -0.2896                -0.2089                -0.4237
 Delta2 Fr= 1--     -0.1383                -0.1861                -0.1521
 Raman1 Fr= 1--       3.923                  0.451                  1.778
 ROA1   Fr= 1--     -32.229                -26.008                -45.548
 CID1   Fr= 1--      -8.215                -57.732                -25.619
 Raman2 Fr= 1--       1.392                  0.193                  0.454
 ROA2   Fr= 1--      -5.845                 -3.525                 -8.953
 CID2   Fr= 1--      -4.198                -18.258                -19.703
 Raman3 Fr= 1--       2.785                  0.386                  0.909
 ROA3   Fr= 1--     -32.229                -26.008                -45.548
 CID3   Fr= 1--     -11.574                -67.354                -50.120
 RC180  Fr= 1--       0.420                  0.714                  0.022
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.11   0.03     0.09   0.05  -0.05     0.05   0.05   0.09
     2   6    -0.03   0.05   0.01     0.01   0.01  -0.06     0.03   0.00   0.04
     3   6     0.00   0.13  -0.00    -0.00   0.00  -0.14    -0.00  -0.06  -0.00
     4   6    -0.07  -0.16   0.00    -0.14  -0.02   0.15     0.02  -0.08   0.04
     5   6    -0.23  -0.04  -0.04     0.04   0.02  -0.00     0.10   0.05  -0.16
     6   6    -0.05   0.11  -0.03     0.09  -0.05  -0.05    -0.05   0.05  -0.09
     7   6     0.03   0.05  -0.01     0.01  -0.01  -0.06    -0.03   0.00  -0.04
     8   6     0.23  -0.04   0.04     0.04  -0.02  -0.00    -0.10   0.05   0.16
     9   6     0.07  -0.16  -0.00    -0.14   0.02   0.15    -0.02  -0.08  -0.04
    10   1     0.10   0.08   0.08     0.06   0.06   0.02    -0.03   0.07   0.19
    11   1     0.07   0.16   0.01     0.19   0.08  -0.09     0.16   0.10   0.05
    12   1    -0.09  -0.18  -0.00    -0.36  -0.06   0.12    -0.02  -0.28   0.01
    13   1     0.01  -0.29   0.02    -0.08  -0.01   0.36     0.01   0.01   0.16
    14   1    -0.36   0.01  -0.08    -0.03  -0.01  -0.14     0.15  -0.06  -0.32
    15   1    -0.26  -0.09  -0.05     0.22   0.08   0.10     0.13   0.25  -0.19
    16   1    -0.07   0.16  -0.01     0.19  -0.08  -0.09    -0.16   0.10  -0.05
    17   1    -0.10   0.08  -0.08     0.06  -0.06   0.02     0.03   0.07  -0.19
    18   1     0.36   0.01   0.08    -0.03   0.01  -0.14    -0.15  -0.06   0.32
    19   1     0.26  -0.09   0.05     0.22  -0.08   0.10    -0.13   0.25   0.19
    20   1     0.09  -0.18   0.00    -0.36   0.06   0.12     0.02  -0.28  -0.01
    21   1    -0.01  -0.29  -0.02    -0.08   0.01   0.36    -0.01   0.01  -0.16
                      4                      5                      6
                      A                      A                      A
 Frequencies --    243.9944               261.0571               309.6948
 Red. masses --      2.4431                 2.4648                 2.5338
 Frc consts  --      0.0857                 0.0990                 0.1432
 IR Inten    --      0.0276                 0.0233                 0.1247
 RamAct Fr= 1--      2.8138                 1.2317                 0.0688
  Dep-P Fr= 1--      0.4936                 0.7500                 0.7500
  Dep-U Fr= 1--      0.6610                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0143                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3100                 0.1760                 0.0098
 AlphaG Fr= 1--      0.0039                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.3628                 0.9934                 0.0020
 Delta2 Fr= 1--     -0.1296                 0.2472                -0.0215
 Raman1 Fr= 1--      11.255                  4.927                  0.275
 ROA1   Fr= 1--     -38.978                103.278                 -0.493
 CID1   Fr= 1--      -3.463                 20.963                 -1.791
 Raman2 Fr= 1--       3.720                  2.111                  0.118
 ROA2   Fr= 1--      -7.671                 21.865                  0.221
 CID2   Fr= 1--      -2.062                 10.355                  1.869
 Raman3 Fr= 1--       7.439                  4.223                  0.236
 ROA3   Fr= 1--     -38.978                103.278                 -0.493
 CID3   Fr= 1--      -5.239                 24.457                 -2.090
 RC180  Fr= 1--       0.322                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.01  -0.08    -0.02  -0.13   0.01     0.04   0.07   0.07
     2   6    -0.01   0.01  -0.10    -0.08  -0.11   0.07    -0.07  -0.13  -0.09
     3   6     0.00  -0.04  -0.00    -0.06  -0.00   0.03    -0.01   0.00  -0.00
     4   6    -0.16  -0.01   0.09    -0.03  -0.01   0.02    -0.06   0.08  -0.07
     5   6     0.00   0.02  -0.04     0.13  -0.00  -0.08     0.06  -0.09   0.06
     6   6     0.12  -0.01   0.08    -0.02   0.13   0.01     0.04  -0.07   0.07
     7   6     0.01   0.01   0.10    -0.08   0.11   0.07    -0.07   0.13  -0.09
     8   6    -0.00   0.02   0.04     0.13   0.00  -0.08     0.06   0.09   0.06
     9   6     0.16  -0.01  -0.09    -0.03   0.01   0.02    -0.06  -0.08  -0.07
    10   1    -0.18   0.02  -0.15     0.05  -0.14  -0.09     0.24  -0.03   0.26
    11   1    -0.19  -0.07  -0.04    -0.03  -0.22   0.03    -0.06   0.32   0.03
    12   1    -0.40  -0.02   0.05    -0.01  -0.18  -0.00    -0.01   0.19  -0.05
    13   1    -0.08  -0.04   0.30    -0.11   0.18   0.08    -0.13   0.17  -0.15
    14   1    -0.06  -0.02  -0.19     0.35  -0.17  -0.16     0.14  -0.07   0.17
    15   1     0.16   0.10   0.04     0.10   0.24  -0.16     0.10  -0.16   0.10
    16   1     0.19  -0.07   0.04    -0.03   0.22   0.04    -0.06  -0.32   0.03
    17   1     0.18   0.02   0.15     0.05   0.14  -0.09     0.24   0.03   0.26
    18   1     0.06  -0.02   0.19     0.35   0.17  -0.16     0.14   0.07   0.17
    19   1    -0.17   0.10  -0.04     0.10  -0.24  -0.16     0.10   0.16   0.10
    20   1     0.40  -0.02  -0.05    -0.01   0.18  -0.00    -0.01  -0.19  -0.05
    21   1     0.08  -0.04  -0.30    -0.11  -0.18   0.08    -0.13  -0.17  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    402.1717               425.9712               461.3136
 Red. masses --      2.1065                 2.4669                 2.7609
 Frc consts  --      0.2007                 0.2637                 0.3462
 IR Inten    --      0.1469                 0.0677                 0.2767
 RamAct Fr= 1--      2.5291                 3.0923                 4.5900
  Dep-P Fr= 1--      0.7427                 0.7500                 0.5624
  Dep-U Fr= 1--      0.8524                 0.8571                 0.7199
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0163
 Beta2  Fr= 1--      0.3593                 0.4418                 0.5507
 AlphaG Fr= 1--      0.0023                 0.0000                -0.0015
 Gamma2 Fr= 1--     -1.4463                 0.0817                 0.8263
 Delta2 Fr= 1--      0.1937                 0.0125                 0.3133
 Raman1 Fr= 1--      10.116                 12.369                 18.360
 ROA1   Fr= 1--    -132.646                  8.239                 89.354
 CID1   Fr= 1--     -13.112                  0.666                  4.867
 Raman2 Fr= 1--       4.312                  5.301                  6.609
 ROA2   Fr= 1--     -36.261                  1.860                 17.325
 CID2   Fr= 1--      -8.410                  0.351                  2.622
 Raman3 Fr= 1--       8.623                 10.602                 13.218
 ROA3   Fr= 1--    -132.646                  8.239                 89.354
 CID3   Fr= 1--     -15.383                  0.777                  6.760
 RC180  Fr= 1--       0.705                  0.714                  0.440
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.11  -0.10     0.15  -0.01   0.01     0.12  -0.00   0.00
     2   6    -0.02   0.04   0.09    -0.08   0.02   0.11    -0.12  -0.11  -0.04
     3   6     0.00   0.12   0.00    -0.09   0.00  -0.13    -0.00   0.09   0.00
     4   6     0.02  -0.01   0.03     0.01   0.05  -0.02    -0.14   0.08  -0.06
     5   6    -0.03   0.06  -0.04    -0.08   0.06  -0.01     0.01  -0.04  -0.04
     6   6    -0.06  -0.11   0.10     0.15   0.01   0.01    -0.12  -0.00  -0.00
     7   6     0.02   0.04  -0.09    -0.08  -0.02   0.11     0.12  -0.11   0.04
     8   6     0.03   0.06   0.04    -0.08  -0.06  -0.01    -0.01  -0.04   0.04
     9   6    -0.02  -0.01  -0.03     0.01  -0.05  -0.02     0.14   0.08   0.06
    10   1     0.14  -0.11  -0.40     0.11  -0.01   0.15     0.37  -0.11   0.14
    11   1     0.01  -0.39  -0.01     0.46   0.01  -0.07     0.09   0.17  -0.04
    12   1     0.04  -0.13   0.01     0.23  -0.05  -0.01    -0.17   0.07  -0.06
    13   1     0.01   0.03   0.07    -0.10   0.16  -0.17    -0.21   0.23  -0.03
    14   1     0.06  -0.01  -0.09    -0.01   0.06   0.07     0.20  -0.14  -0.01
    15   1    -0.11   0.20  -0.13    -0.21   0.06  -0.10     0.01   0.08  -0.07
    16   1    -0.01  -0.39   0.01     0.46  -0.01  -0.07    -0.09   0.17   0.04
    17   1    -0.14  -0.11   0.40     0.11   0.01   0.15    -0.37  -0.11  -0.14
    18   1    -0.06  -0.01   0.09    -0.01  -0.06   0.07    -0.20  -0.14   0.01
    19   1     0.11   0.20   0.13    -0.21  -0.06  -0.10    -0.01   0.08   0.07
    20   1    -0.04  -0.13  -0.01     0.23   0.05  -0.01     0.17   0.07   0.06
    21   1    -0.01   0.03  -0.07    -0.10  -0.16  -0.17     0.21   0.23   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    565.9291               624.9180               661.3826
 Red. masses --      3.3798                 3.0782                 2.8453
 Frc consts  --      0.6378                 0.7083                 0.7333
 IR Inten    --      0.2920                 0.3828                 0.1138
 RamAct Fr= 1--     20.9628                16.2095                11.0753
  Dep-P Fr= 1--      0.1754                 0.7500                 0.6673
  Dep-U Fr= 1--      0.2984                 0.8571                 0.8004
 Alpha2 Fr= 1--      0.3037                 0.0000                 0.0163
 Beta2  Fr= 1--      1.0425                 2.3156                 1.4775
 AlphaG Fr= 1--      0.0931                 0.0000                 0.0083
 Gamma2 Fr= 1--     -0.4550                -0.6246                 2.8717
 Delta2 Fr= 1--     -0.8516                 3.1693                -2.0156
 Raman1 Fr= 1--      83.851                 64.838                 44.301
 ROA1   Fr= 1--     -70.929                 41.457                211.186
 CID1   Fr= 1--      -0.846                  0.639                  4.767
 Raman2 Fr= 1--      12.510                 27.788                 17.730
 ROA2   Fr= 1--      -4.107                -40.344                 85.045
 CID2   Fr= 1--      -0.328                 -1.452                  4.797
 Raman3 Fr= 1--      25.020                 55.575                 35.460
 ROA3   Fr= 1--     -70.929                 41.457                211.186
 CID3   Fr= 1--      -2.835                  0.746                  5.956
 RC180  Fr= 1--      -0.403                  0.714                  0.601
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.06  -0.12     0.11  -0.08   0.04    -0.14   0.08   0.01
     2   6     0.10   0.04  -0.15     0.04   0.01  -0.04    -0.09  -0.05   0.08
     3   6     0.00   0.15   0.00     0.13  -0.00   0.21     0.00   0.21   0.00
     4   6     0.06  -0.09  -0.01    -0.08   0.12  -0.01     0.02  -0.08   0.00
     5   6     0.13  -0.06   0.04    -0.10   0.05  -0.07     0.07  -0.05   0.06
     6   6    -0.12   0.06   0.12     0.11   0.08   0.04     0.14   0.08  -0.01
     7   6    -0.10   0.04   0.15     0.04  -0.01  -0.04     0.09  -0.05  -0.08
     8   6    -0.13  -0.06  -0.04    -0.10  -0.05  -0.07    -0.07  -0.05  -0.06
     9   6    -0.06  -0.09   0.01    -0.08  -0.12  -0.01    -0.02  -0.08  -0.00
    10   1     0.27   0.01  -0.19     0.32  -0.14  -0.15     0.01   0.03  -0.09
    11   1     0.03   0.09  -0.11    -0.18  -0.17   0.14    -0.38   0.10   0.06
    12   1    -0.15   0.05  -0.02    -0.25   0.21  -0.03     0.09  -0.23  -0.00
    13   1     0.19  -0.25   0.13    -0.04   0.07   0.05    -0.02   0.04   0.05
    14   1     0.02  -0.03  -0.02    -0.15   0.05  -0.13     0.35  -0.18   0.12
    15   1     0.27  -0.14   0.15    -0.09   0.11  -0.08    -0.04   0.08  -0.05
    16   1    -0.03   0.09   0.11    -0.18   0.17   0.14     0.38   0.10  -0.06
    17   1    -0.27   0.01   0.19     0.32   0.14  -0.15    -0.01   0.03   0.09
    18   1    -0.02  -0.03   0.02    -0.15  -0.05  -0.13    -0.35  -0.18  -0.12
    19   1    -0.27  -0.14  -0.15    -0.09  -0.11  -0.08     0.04   0.08   0.05
    20   1     0.15   0.05   0.02    -0.25  -0.21  -0.03    -0.09  -0.23   0.00
    21   1    -0.19  -0.25  -0.13    -0.04  -0.07   0.05     0.02   0.04  -0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    791.5430               795.9907               861.6292
 Red. masses --      1.0305                 1.0477                 1.4451
 Frc consts  --      0.3804                 0.3911                 0.6321
 IR Inten    --      0.1017                 0.0658                 0.7784
 RamAct Fr= 1--      1.1728                 1.1825                 3.4049
  Dep-P Fr= 1--      0.7500                 0.6594                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7948                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0019                 0.0000
 Beta2  Fr= 1--      0.1675                 0.1566                 0.4864
 AlphaG Fr= 1--      0.0000                 0.0081                 0.0000
 Gamma2 Fr= 1--      0.5871                -0.9217                -1.0173
 Delta2 Fr= 1--     -0.2092                 0.0129                -2.1182
 Raman1 Fr= 1--       4.691                  4.730                 13.620
 ROA1   Fr= 1--      49.672                -88.069               -165.446
 CID1   Fr= 1--      10.588                -18.619                -12.148
 Raman2 Fr= 1--       2.011                  1.880                  5.837
 ROA2   Fr= 1--      15.765                -22.224                 -7.471
 CID2   Fr= 1--       7.841                -11.823                 -1.280
 Raman3 Fr= 1--       4.021                  3.759                 11.674
 ROA3   Fr= 1--      49.672                -88.069               -165.446
 CID3   Fr= 1--      12.353                -23.427                -14.172
 RC180  Fr= 1--       0.714                  0.590                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.01     0.01   0.00  -0.01     0.01   0.00   0.06
     2   6     0.00   0.00  -0.01     0.01   0.01  -0.02     0.04   0.03   0.02
     3   6     0.02  -0.00   0.01     0.00  -0.03   0.00    -0.01   0.00  -0.00
     4   6     0.01   0.00  -0.01     0.01   0.00  -0.01    -0.07   0.01  -0.02
     5   6     0.01   0.01  -0.01     0.01   0.01  -0.01     0.04  -0.06  -0.05
     6   6     0.00  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00   0.06
     7   6     0.00  -0.00  -0.01    -0.01   0.01   0.02     0.04  -0.03   0.02
     8   6     0.01  -0.01  -0.01    -0.01   0.01   0.01     0.04   0.06  -0.05
     9   6     0.01  -0.00  -0.01    -0.01   0.00   0.01    -0.07  -0.01  -0.02
    10   1     0.02   0.01  -0.04    -0.03   0.02  -0.00    -0.25   0.13  -0.15
    11   1    -0.06   0.02   0.00     0.04   0.01  -0.02     0.16  -0.30   0.11
    12   1    -0.14  -0.31  -0.07    -0.14  -0.31  -0.07     0.08  -0.01  -0.01
    13   1    -0.02   0.22   0.28    -0.02   0.22   0.27    -0.17   0.16  -0.12
    14   1     0.09   0.12   0.31     0.05   0.16   0.31    -0.16   0.10   0.04
    15   1    -0.26  -0.21  -0.12    -0.23  -0.25  -0.10     0.15  -0.30   0.09
    16   1    -0.06  -0.02   0.00    -0.04   0.01   0.02     0.16   0.31   0.11
    17   1     0.02  -0.01  -0.04     0.03   0.02   0.00    -0.26  -0.13  -0.16
    18   1     0.09  -0.12   0.31    -0.05   0.16  -0.31    -0.16  -0.10   0.04
    19   1    -0.26   0.21  -0.12     0.23  -0.25   0.10     0.16   0.31   0.09
    20   1    -0.14   0.31  -0.07     0.14  -0.31   0.07     0.09   0.01  -0.01
    21   1    -0.02  -0.22   0.28     0.02   0.22  -0.27    -0.18  -0.16  -0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    862.0283               876.7302               906.4135
 Red. masses --      1.5158                 1.6655                 2.7703
 Frc consts  --      0.6636                 0.7543                 1.3410
 IR Inten    --      0.5356                 3.5676                14.6226
 RamAct Fr= 1--      8.7236                 8.1000                 2.5840
  Dep-P Fr= 1--      0.7236                 0.7500                 0.6994
  Dep-U Fr= 1--      0.8396                 0.8571                 0.8231
 Alpha2 Fr= 1--      0.0040                 0.0000                 0.0023
 Beta2  Fr= 1--      1.2208                 1.1571                 0.3545
 AlphaG Fr= 1--      0.0068                -0.0000                 0.0084
 Gamma2 Fr= 1--     -4.2053                -0.8962                 5.9987
 Delta2 Fr= 1--     -1.9331                -1.1149                 3.3526
 Raman1 Fr= 1--      34.895                 32.400                 10.336
 ROA1   Fr= 1--    -465.568               -121.709                683.155
 CID1   Fr= 1--     -13.342                 -3.756                 66.095
 Raman2 Fr= 1--      14.649                 13.886                  4.254
 ROA2   Fr= 1--     -85.462                -12.590                117.147
 CID2   Fr= 1--      -5.834                 -0.907                 27.539
 Raman3 Fr= 1--      29.298                 27.771                  8.508
 ROA3   Fr= 1--    -465.568               -121.709                683.155
 CID3   Fr= 1--     -15.891                 -4.383                 80.299
 RC180  Fr= 1--       0.679                  0.714                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.01    -0.04  -0.12   0.05     0.02   0.03  -0.17
     2   6     0.01  -0.04  -0.04     0.06   0.00  -0.02    -0.11  -0.00  -0.02
     3   6     0.00   0.01   0.00    -0.06   0.00  -0.03     0.00  -0.14   0.00
     4   6     0.09   0.03   0.03     0.02   0.05  -0.02     0.01  -0.09   0.00
     5   6    -0.06   0.05   0.01    -0.01  -0.03  -0.03     0.01   0.10   0.09
     6   6     0.02  -0.06  -0.01    -0.04   0.12   0.05    -0.02   0.03   0.17
     7   6    -0.01  -0.04   0.04     0.06  -0.00  -0.02     0.11  -0.00   0.02
     8   6     0.05   0.05  -0.01    -0.01   0.03  -0.03    -0.01   0.10  -0.09
     9   6    -0.09   0.03  -0.03     0.02  -0.05  -0.02    -0.01  -0.09  -0.00
    10   1     0.25  -0.18   0.21    -0.23  -0.08   0.42    -0.11   0.04   0.20
    11   1    -0.21   0.26  -0.03     0.26   0.13  -0.09     0.22   0.28  -0.29
    12   1    -0.18   0.04  -0.00    -0.25   0.10  -0.04     0.18  -0.14   0.02
    13   1     0.24  -0.15   0.22     0.15  -0.07   0.18    -0.09  -0.01  -0.14
    14   1     0.06  -0.03  -0.03    -0.02  -0.01   0.00     0.10   0.01   0.02
    15   1    -0.16   0.19  -0.09    -0.01  -0.06  -0.03    -0.08   0.24   0.00
    16   1     0.20   0.25   0.03     0.26  -0.13  -0.09    -0.22   0.28   0.29
    17   1    -0.24  -0.18  -0.21    -0.23   0.08   0.42     0.11   0.04  -0.20
    18   1    -0.05  -0.03   0.03    -0.02   0.01   0.00    -0.10   0.01  -0.02
    19   1     0.16   0.18   0.09    -0.01   0.06  -0.03     0.08   0.24  -0.00
    20   1     0.18   0.04   0.00    -0.25  -0.10  -0.04    -0.18  -0.14  -0.02
    21   1    -0.23  -0.14  -0.22     0.15   0.07   0.18     0.09  -0.01   0.14
                     19                     20                     21
                      A                      A                      A
 Frequencies --    928.4293               933.5933               966.3067
 Red. masses --      2.0379                 3.5645                 1.3546
 Frc consts  --      1.0350                 1.8305                 0.7453
 IR Inten    --      5.4253                23.0296                 0.8269
 RamAct Fr= 1--      0.2024                 2.3140                 3.6905
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7233
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8394
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0017
 Beta2  Fr= 1--      0.0289                 0.3306                 0.5163
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0097
 Gamma2 Fr= 1--      0.7116                 2.7216                -1.7292
 Delta2 Fr= 1--      0.0873                 1.2410                -0.8527
 Raman1 Fr= 1--       0.810                  9.256                 14.762
 ROA1   Fr= 1--      71.110                300.981               -193.291
 CID1   Fr= 1--      87.836                 32.518                -13.094
 Raman2 Fr= 1--       0.347                  3.967                  6.196
 ROA2   Fr= 1--      16.380                 55.389                -34.680
 CID2   Fr= 1--      47.210                 13.963                 -5.597
 Raman3 Fr= 1--       0.694                  7.934                 12.392
 ROA3   Fr= 1--      71.110                300.981               -193.291
 CID3   Fr= 1--     102.476                 37.938                -15.598
 RC180  Fr= 1--       0.714                  0.714                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.05    -0.08   0.03  -0.02    -0.00  -0.00   0.00
     2   6     0.03   0.03   0.10     0.06  -0.14   0.02    -0.02  -0.05  -0.04
     3   6     0.10   0.00   0.02     0.07  -0.00  -0.11    -0.00   0.03  -0.00
     4   6    -0.04   0.04  -0.04     0.08   0.11   0.18     0.01  -0.01   0.08
     5   6    -0.03  -0.13   0.01    -0.08  -0.07  -0.12     0.01   0.05  -0.04
     6   6    -0.00  -0.07  -0.05    -0.08  -0.03  -0.02     0.00  -0.00  -0.00
     7   6     0.03  -0.03   0.10     0.06   0.14   0.02     0.02  -0.05   0.04
     8   6    -0.03   0.13   0.01    -0.08   0.07  -0.12    -0.01   0.05   0.04
     9   6    -0.04  -0.04  -0.04     0.08  -0.11   0.18    -0.01  -0.01  -0.08
    10   1    -0.18   0.14  -0.04     0.02  -0.01  -0.00     0.21  -0.09  -0.03
    11   1     0.11   0.00  -0.06    -0.14   0.10  -0.03    -0.21   0.07   0.03
    12   1    -0.17   0.15  -0.03     0.34   0.02   0.20     0.32  -0.16   0.09
    13   1    -0.01   0.02   0.05    -0.07   0.29  -0.02    -0.13   0.15  -0.13
    14   1     0.33  -0.35  -0.02    -0.21  -0.02  -0.14    -0.26   0.21  -0.02
    15   1    -0.16   0.21  -0.17    -0.09  -0.15  -0.11     0.15  -0.21   0.12
    16   1     0.11  -0.00  -0.06    -0.14  -0.10  -0.03     0.21   0.07  -0.03
    17   1    -0.18  -0.14  -0.04     0.02   0.01  -0.00    -0.21  -0.09   0.03
    18   1     0.33   0.35  -0.02    -0.21   0.01  -0.14     0.26   0.21   0.02
    19   1    -0.16  -0.21  -0.17    -0.09   0.15  -0.11    -0.15  -0.21  -0.11
    20   1    -0.17  -0.15  -0.03     0.34  -0.02   0.20    -0.31  -0.16  -0.09
    21   1    -0.01  -0.02   0.05    -0.07  -0.29  -0.02     0.13   0.15   0.13
                     22                     23                     24
                      A                      A                      A
 Frequencies --    994.6179              1011.5672              1034.3408
 Red. masses --      2.8669                 1.2651                 1.2653
 Frc consts  --      1.6710                 0.7627                 0.7976
 IR Inten    --      2.9611                 1.9409                 5.3207
 RamAct Fr= 1--     53.4256                 0.5726                 2.6733
  Dep-P Fr= 1--      0.0337                 0.7500                 0.5398
  Dep-U Fr= 1--      0.0653                 0.8571                 0.7011
 Alpha2 Fr= 1--      1.0968                 0.0000                 0.0108
 Beta2  Fr= 1--      0.5813                 0.0818                 0.3124
 AlphaG Fr= 1--      0.0620                 0.0000                 0.0108
 Gamma2 Fr= 1--     -2.8124                -0.6730                -1.4009
 Delta2 Fr= 1--     -0.7201                -0.2320                -0.9855
 Raman1 Fr= 1--     213.703                  2.291                 10.693
 ROA1   Fr= 1--    -293.035                -72.037               -166.023
 CID1   Fr= 1--      -1.371                -31.450                -15.526
 Raman2 Fr= 1--       6.976                  0.982                  3.749
 ROA2   Fr= 1--     -61.738                -14.297                -25.738
 CID2   Fr= 1--      -8.850                -14.564                 -6.866
 Raman3 Fr= 1--      13.952                  1.963                  7.497
 ROA3   Fr= 1--    -293.035                -72.037               -166.023
 CID3   Fr= 1--     -21.003                -36.692                -22.144
 RC180  Fr= 1--      -0.869                  0.714                  0.402
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.08   0.12    -0.05   0.04   0.03    -0.05   0.01  -0.02
     2   6    -0.05   0.05  -0.03     0.01   0.00   0.01     0.00  -0.01  -0.00
     3   6     0.00   0.01  -0.00    -0.03  -0.00  -0.03    -0.00   0.02   0.00
     4   6    -0.08  -0.08  -0.13     0.00   0.05  -0.00    -0.01   0.06   0.02
     5   6     0.04   0.14   0.07    -0.04  -0.01  -0.04    -0.05  -0.01  -0.04
     6   6     0.00  -0.08  -0.12    -0.05  -0.04   0.03     0.05   0.01   0.02
     7   6     0.05   0.05   0.03     0.01  -0.00   0.01    -0.00  -0.01   0.00
     8   6    -0.04   0.14  -0.07    -0.04   0.01  -0.04     0.05  -0.01   0.04
     9   6     0.08  -0.08   0.13     0.00  -0.05  -0.00     0.01   0.06  -0.02
    10   1     0.13  -0.12   0.04     0.34  -0.10  -0.14     0.09  -0.06   0.06
    11   1    -0.09  -0.15   0.17     0.22  -0.18   0.03     0.31  -0.05  -0.08
    12   1    -0.15  -0.17  -0.16     0.01  -0.15  -0.03     0.15  -0.27  -0.01
    13   1     0.04  -0.28  -0.07     0.20  -0.28   0.07     0.15  -0.26  -0.01
    14   1     0.03   0.21   0.17     0.20  -0.05   0.14     0.24  -0.07   0.16
    15   1     0.20   0.03   0.21     0.18  -0.07   0.12     0.25  -0.07   0.16
    16   1     0.09  -0.15  -0.17     0.22   0.18   0.03    -0.31  -0.05   0.08
    17   1    -0.13  -0.12  -0.04     0.34   0.10  -0.14    -0.09  -0.06  -0.06
    18   1    -0.03   0.21  -0.17     0.20   0.05   0.14    -0.24  -0.07  -0.16
    19   1    -0.20   0.03  -0.21     0.18   0.07   0.12    -0.25  -0.07  -0.16
    20   1     0.15  -0.17   0.16     0.01   0.15  -0.03    -0.15  -0.27   0.01
    21   1    -0.04  -0.28   0.06     0.20   0.28   0.07    -0.15  -0.26   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1055.9424              1064.6377              1073.8942
 Red. masses --      1.3134                 1.5742                 1.3349
 Frc consts  --      0.8628                 1.0512                 0.9070
 IR Inten    --      6.3927                 2.2464                 0.3236
 RamAct Fr= 1--      2.3339                 1.0738                 2.9214
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7041
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8263
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0023
 Beta2  Fr= 1--      0.3334                 0.1534                 0.4023
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0236
 Gamma2 Fr= 1--     -0.2149                 1.0588                 0.3780
 Delta2 Fr= 1--      1.8465                 0.3844                -0.3820
 Raman1 Fr= 1--       9.336                  4.295                 11.685
 ROA1   Fr= 1--      38.453                113.941                 24.062
 CID1   Fr= 1--       4.119                 26.528                  2.059
 Raman2 Fr= 1--       4.001                  1.841                  4.828
 ROA2   Fr= 1--     -19.931                 22.335                 12.127
 CID2   Fr= 1--      -4.981                 12.134                  2.512
 Raman3 Fr= 1--       8.002                  3.681                  9.656
 ROA3   Fr= 1--      38.453                113.941                 24.062
 CID3   Fr= 1--       4.805                 30.950                  2.492
 RC180  Fr= 1--       0.714                  0.714                  0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04   0.04    -0.09  -0.01  -0.06     0.10  -0.02  -0.01
     2   6    -0.01  -0.01  -0.00     0.01   0.04   0.02     0.00  -0.00   0.00
     3   6    -0.05  -0.00  -0.05     0.08  -0.00   0.11     0.00  -0.01   0.00
     4   6     0.05  -0.02  -0.01    -0.04  -0.04  -0.01    -0.02   0.05   0.00
     5   6     0.04  -0.02   0.03     0.03   0.00   0.00    -0.02  -0.01  -0.01
     6   6    -0.03  -0.04   0.04    -0.09   0.01  -0.06    -0.10  -0.02   0.01
     7   6    -0.01   0.01  -0.00     0.01  -0.04   0.02    -0.00  -0.00  -0.00
     8   6     0.04   0.02   0.03     0.03  -0.00   0.00     0.02  -0.01   0.01
     9   6     0.05   0.02  -0.01    -0.04   0.04  -0.01     0.02   0.05  -0.00
    10   1     0.21  -0.03  -0.18     0.31  -0.19   0.18    -0.36   0.16   0.00
    11   1     0.15  -0.19   0.06     0.36   0.11  -0.20    -0.44   0.14   0.07
    12   1    -0.22   0.31   0.00     0.08  -0.03   0.01     0.10  -0.20  -0.01
    13   1     0.03   0.10   0.13    -0.19   0.22  -0.08     0.08  -0.18  -0.03
    14   1    -0.22   0.03  -0.16    -0.14   0.06  -0.06     0.10  -0.04   0.06
    15   1    -0.25   0.02  -0.18     0.04  -0.05   0.02     0.07   0.02   0.04
    16   1     0.15   0.19   0.06     0.36  -0.11  -0.20     0.44   0.14  -0.07
    17   1     0.21   0.03  -0.18     0.31   0.19   0.18     0.36   0.16  -0.00
    18   1    -0.22  -0.03  -0.16    -0.14  -0.06  -0.06    -0.10  -0.04  -0.06
    19   1    -0.25  -0.02  -0.18     0.04   0.05   0.02    -0.07   0.02  -0.04
    20   1    -0.22  -0.31   0.00     0.08   0.03   0.01    -0.10  -0.20   0.01
    21   1     0.03  -0.10   0.13    -0.19  -0.22  -0.08    -0.08  -0.18   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1078.8696              1079.4291              1105.0154
 Red. masses --      1.4365                 1.4228                 1.7863
 Frc consts  --      0.9851                 0.9768                 1.2851
 IR Inten    --      0.5532                 0.7807                 3.7244
 RamAct Fr= 1--      0.4259                 1.1471                 0.8277
  Dep-P Fr= 1--      0.7500                 0.7267                 0.4175
  Dep-U Fr= 1--      0.8571                 0.8417                 0.5890
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0058
 Beta2  Fr= 1--      0.0608                 0.1609                 0.0813
 AlphaG Fr= 1--     -0.0000                 0.0041                -0.0067
 Gamma2 Fr= 1--      0.1693                 0.0946                 1.0924
 Delta2 Fr= 1--     -0.1689                -0.3793                -0.1346
 Raman1 Fr= 1--       1.704                  4.588                  3.311
 ROA1   Fr= 1--      10.845                 -3.061                100.565
 CID1   Fr= 1--       6.365                 -0.667                 30.375
 Raman2 Fr= 1--       0.730                  1.931                  0.975
 ROA2   Fr= 1--       5.413                  5.304                 27.295
 CID2   Fr= 1--       7.413                  2.747                 27.993
 Raman3 Fr= 1--       1.460                  3.862                  1.950
 ROA3   Fr= 1--      10.845                 -3.061                100.565
 CID3   Fr= 1--       7.426                 -0.793                 51.568
 RC180  Fr= 1--       0.714                  0.683                  0.178
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.02  -0.01  -0.00    -0.03  -0.11  -0.03
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.03   0.06
     3   6     0.01  -0.00   0.01    -0.00   0.01  -0.00     0.00   0.17   0.00
     4   6    -0.06   0.08  -0.01     0.06  -0.07   0.01    -0.00   0.00  -0.02
     5   6     0.08  -0.03   0.04    -0.08   0.03  -0.05     0.04  -0.02  -0.02
     6   6    -0.00   0.00  -0.00    -0.02  -0.01   0.00     0.03  -0.11   0.03
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.03  -0.06
     8   6     0.08   0.03   0.04     0.08   0.03   0.05    -0.04  -0.02   0.02
     9   6    -0.06  -0.08  -0.01    -0.06  -0.07  -0.01     0.00   0.00   0.02
    10   1    -0.00  -0.01   0.02    -0.10   0.04   0.01    -0.30  -0.05   0.39
    11   1    -0.01   0.02  -0.01    -0.06   0.02   0.01     0.14   0.23  -0.17
    12   1     0.18  -0.33  -0.03    -0.15   0.28   0.03    -0.06   0.02  -0.02
    13   1     0.14  -0.31  -0.03    -0.13   0.28   0.02    -0.00   0.04   0.05
    14   1    -0.28   0.05  -0.18     0.29  -0.05   0.20    -0.23   0.10  -0.09
    15   1    -0.25   0.05  -0.19     0.30  -0.06   0.22     0.10  -0.15   0.05
    16   1    -0.01  -0.02  -0.01     0.06   0.02  -0.01    -0.14   0.23   0.17
    17   1    -0.00   0.01   0.02     0.10   0.04  -0.01     0.30  -0.05  -0.39
    18   1    -0.28  -0.05  -0.18    -0.29  -0.05  -0.20     0.23   0.10   0.09
    19   1    -0.25  -0.05  -0.19    -0.30  -0.06  -0.22    -0.10  -0.15  -0.05
    20   1     0.18   0.33  -0.03     0.15   0.28  -0.03     0.06   0.02   0.02
    21   1     0.14   0.31  -0.03     0.13   0.28  -0.02     0.00   0.04  -0.05
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1121.5264              1131.0435              1170.6962
 Red. masses --      1.8731                 2.1068                 1.7698
 Frc consts  --      1.3881                 1.5879                 1.4291
 IR Inten    --      1.0555                 0.5233                 3.5380
 RamAct Fr= 1--      0.4184                 2.8009                 0.9573
  Dep-P Fr= 1--      0.7500                 0.7488                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8564                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0598                 0.3998                 0.1368
 AlphaG Fr= 1--      0.0000                -0.0088                 0.0000
 Gamma2 Fr= 1--     -1.5948                -0.0683                -0.3528
 Delta2 Fr= 1--     -0.7400                 0.4332                 1.2589
 Raman1 Fr= 1--       1.674                 11.204                  3.829
 ROA1   Fr= 1--    -176.786                  7.304                  6.417
 CID1   Fr= 1--    -105.633                  0.652                  1.676
 Raman2 Fr= 1--       0.717                  4.797                  1.641
 ROA2   Fr= 1--     -32.356                 -5.105                -18.539
 CID2   Fr= 1--     -45.111                 -1.064                -11.297
 Raman3 Fr= 1--       1.435                  9.595                  3.282
 ROA3   Fr= 1--    -176.786                  7.304                  6.417
 CID3   Fr= 1--    -123.238                  0.761                  1.955
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03   0.02    -0.02  -0.02  -0.05    -0.03  -0.04   0.06
     2   6    -0.02  -0.10  -0.12     0.08   0.14   0.09     0.09   0.06  -0.06
     3   6     0.08  -0.00   0.08    -0.00  -0.11  -0.00    -0.02  -0.00  -0.09
     4   6     0.01  -0.01   0.03    -0.06  -0.01  -0.03    -0.07  -0.04   0.05
     5   6    -0.03   0.06   0.04    -0.00  -0.06  -0.01     0.01   0.01   0.00
     6   6    -0.02  -0.03   0.02     0.02  -0.02   0.05    -0.03   0.04   0.06
     7   6    -0.02   0.10  -0.12    -0.08   0.14  -0.09     0.09  -0.06  -0.06
     8   6    -0.03  -0.06   0.04     0.00  -0.06   0.01     0.01  -0.01   0.00
     9   6     0.01   0.01   0.03     0.06  -0.01   0.03    -0.07   0.04   0.05
    10   1    -0.30   0.14  -0.03     0.42  -0.21   0.09     0.16  -0.11   0.01
    11   1     0.45  -0.26  -0.01    -0.29   0.27  -0.06    -0.08  -0.01   0.07
    12   1     0.08  -0.09   0.02     0.06  -0.08  -0.02     0.19   0.11   0.10
    13   1    -0.02  -0.01  -0.06    -0.13   0.12  -0.05    -0.16  -0.05  -0.25
    14   1     0.11  -0.03   0.03     0.07  -0.08   0.02     0.29  -0.04   0.20
    15   1    -0.12   0.18  -0.04     0.09   0.02   0.03    -0.30   0.09  -0.22
    16   1     0.45   0.26  -0.01     0.28   0.26   0.06    -0.08   0.02   0.07
    17   1    -0.30  -0.14  -0.03    -0.42  -0.21  -0.09     0.16   0.11   0.01
    18   1     0.11   0.03   0.03    -0.07  -0.08  -0.02     0.29   0.04   0.20
    19   1    -0.12  -0.18  -0.04    -0.09   0.02  -0.03    -0.30  -0.09  -0.22
    20   1     0.08   0.09   0.02    -0.06  -0.08   0.02     0.19  -0.11   0.10
    21   1    -0.02   0.01  -0.06     0.13   0.12   0.05    -0.16   0.05  -0.25
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1178.5041              1178.5411              1188.2199
 Red. masses --      1.3389                 1.5148                 2.0825
 Frc consts  --      1.0956                 1.2396                 1.7324
 IR Inten    --      0.3003                 1.2186                 1.9474
 RamAct Fr= 1--      1.0360                 0.0683                 1.1411
  Dep-P Fr= 1--      0.6140                 0.7064                 0.2116
  Dep-U Fr= 1--      0.7609                 0.8280                 0.3492
 Alpha2 Fr= 1--      0.0026                 0.0001                 0.0150
 Beta2  Fr= 1--      0.1314                 0.0094                 0.0664
 AlphaG Fr= 1--      0.0046                 0.0001                -0.0482
 Gamma2 Fr= 1--     -0.8274                 0.4491                 0.3098
 Delta2 Fr= 1--     -0.4291                 0.0286                -0.0642
 Raman1 Fr= 1--       4.144                  0.273                  4.564
 ROA1   Fr= 1--     -93.165                 44.027                 27.684
 CID1   Fr= 1--     -22.481                161.173                  6.065
 Raman2 Fr= 1--       1.577                  0.113                  0.797
 ROA2   Fr= 1--     -16.426                 10.549                  7.948
 CID2   Fr= 1--     -10.419                 93.283                  9.972
 Raman3 Fr= 1--       3.153                  0.226                  1.594
 ROA3   Fr= 1--     -93.165                 44.027                 27.684
 CID3   Fr= 1--     -29.547                194.663                 17.368
 RC180  Fr= 1--       0.522                  0.656                 -0.302
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.02    -0.01  -0.01   0.04    -0.01  -0.07   0.05
     2   6    -0.03  -0.00   0.04     0.05   0.03  -0.03     0.10   0.05  -0.13
     3   6     0.00  -0.01   0.01    -0.03  -0.00  -0.07     0.00   0.10  -0.00
     4   6    -0.04  -0.02   0.05     0.02   0.01  -0.04    -0.05  -0.04   0.06
     5   6     0.06   0.03  -0.08    -0.05  -0.03   0.07    -0.01   0.00   0.02
     6   6     0.00   0.00   0.01    -0.01   0.02   0.05     0.01  -0.07  -0.05
     7   6     0.01   0.00  -0.03     0.06  -0.03  -0.05    -0.10   0.05   0.13
     8   6    -0.05   0.02   0.06    -0.06   0.03   0.09     0.01   0.00  -0.02
     9   6     0.04  -0.02  -0.04     0.03  -0.01  -0.05     0.05  -0.04  -0.06
    10   1     0.03  -0.01   0.02     0.08  -0.04  -0.03    -0.12  -0.03   0.10
    11   1    -0.04   0.05  -0.03    -0.06  -0.03   0.06     0.11   0.01  -0.00
    12   1    -0.03   0.39   0.11     0.06  -0.29  -0.07     0.27  -0.03   0.10
    13   1     0.07  -0.37  -0.16    -0.09   0.29   0.08    -0.21   0.10  -0.22
    14   1     0.14   0.18   0.29    -0.04  -0.17  -0.18     0.28  -0.12   0.12
    15   1    -0.19  -0.25  -0.18     0.10   0.23   0.10    -0.26   0.16  -0.18
    16   1     0.06   0.04   0.01    -0.05   0.05   0.07    -0.11   0.01   0.00
    17   1    -0.05  -0.02  -0.01     0.07   0.04  -0.03     0.12  -0.03  -0.10
    18   1    -0.12   0.13  -0.23    -0.07   0.21  -0.26    -0.28  -0.12  -0.12
    19   1     0.16  -0.18   0.14     0.15  -0.29   0.15     0.26   0.16   0.18
    20   1     0.02   0.30  -0.09     0.06   0.39  -0.10    -0.27  -0.03  -0.10
    21   1    -0.05  -0.28   0.13    -0.11  -0.39   0.12     0.21   0.10   0.22
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1249.0794              1424.4106              1453.8704
 Red. masses --      4.4486                 1.4867                 1.1026
 Frc consts  --      4.0894                 1.7772                 1.3732
 IR Inten    --      1.2360                 0.3157                 0.9698
 RamAct Fr= 1--      2.4826                12.0956                13.6026
  Dep-P Fr= 1--      0.7500                 0.3103                 0.7500
  Dep-U Fr= 1--      0.8571                 0.4736                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.1203                 0.0000
 Beta2  Fr= 1--      0.3547                 0.9547                 1.9432
 AlphaG Fr= 1--      0.0000                 0.0524                 0.0000
 Gamma2 Fr= 1--      2.0231                 5.9809                -6.7540
 Delta2 Fr= 1--      1.4820                 1.3721                -2.3375
 Raman1 Fr= 1--       9.931                 48.382                 54.410
 ROA1   Fr= 1--     241.644                618.072               -723.185
 CID1   Fr= 1--      24.333                 12.775                -13.291
 Raman2 Fr= 1--       4.256                 11.456                 23.319
 ROA2   Fr= 1--      36.699                132.565               -143.396
 CID2   Fr= 1--       8.623                 11.571                 -6.149
 Raman3 Fr= 1--       8.512                 22.913                 46.637
 ROA3   Fr= 1--     241.644                618.072               -723.185
 CID3   Fr= 1--      28.389                 26.975                -15.507
 RC180  Fr= 1--       0.714                 -0.053                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.00   0.05     0.02  -0.00  -0.00     0.00   0.03  -0.04
     2   6     0.07  -0.15   0.14    -0.10   0.09  -0.05    -0.02   0.02  -0.01
     3   6     0.27   0.00  -0.24    -0.00  -0.03   0.00     0.04   0.00  -0.02
     4   6    -0.08  -0.03  -0.11     0.01  -0.00   0.01    -0.00  -0.00  -0.00
     5   6    -0.00   0.13   0.03     0.01  -0.02  -0.00     0.00   0.01   0.01
     6   6    -0.08  -0.00   0.05    -0.02  -0.00   0.00     0.00  -0.03  -0.04
     7   6     0.07   0.15   0.14     0.10   0.09   0.05    -0.02  -0.02  -0.01
     8   6    -0.00  -0.13   0.03    -0.01  -0.02   0.00     0.00  -0.01   0.01
     9   6    -0.08   0.03  -0.11    -0.01  -0.00  -0.01    -0.00   0.00  -0.00
    10   1    -0.03  -0.03   0.09     0.03  -0.05   0.29     0.05  -0.06   0.46
    11   1    -0.12  -0.07   0.09    -0.09  -0.27   0.11    -0.14  -0.42   0.14
    12   1    -0.31  -0.03  -0.15     0.25   0.11   0.07     0.08   0.03   0.02
    13   1    -0.06  -0.11  -0.14     0.09   0.02   0.26     0.02   0.01   0.08
    14   1    -0.15   0.27   0.12     0.10  -0.18  -0.17     0.05  -0.08  -0.10
    15   1     0.07   0.17   0.09    -0.05  -0.26   0.01    -0.04  -0.13   0.01
    16   1    -0.12   0.07   0.09     0.09  -0.27  -0.11    -0.14   0.42   0.14
    17   1    -0.03   0.03   0.09    -0.03  -0.05  -0.29     0.05   0.06   0.46
    18   1    -0.15  -0.27   0.12    -0.10  -0.18   0.17     0.05   0.08  -0.10
    19   1     0.07  -0.17   0.09     0.05  -0.26  -0.01    -0.04   0.13   0.01
    20   1    -0.31   0.03  -0.15    -0.25   0.11  -0.07     0.08  -0.03   0.02
    21   1    -0.06   0.11  -0.14    -0.09   0.02  -0.26     0.02  -0.01   0.08
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1466.5217              1467.0641              1480.7037
 Red. masses --      1.0899                 1.0894                 1.1590
 Frc consts  --      1.3811                 1.3815                 1.4972
 IR Inten    --      1.5572                 1.7148                 0.0285
 RamAct Fr= 1--      3.0470                18.3072                 5.7106
  Dep-P Fr= 1--      0.7500                 0.7463                 0.3707
  Dep-U Fr= 1--      0.8571                 0.8547                 0.5409
 Alpha2 Fr= 1--      0.0000                 0.0012                 0.0468
 Beta2  Fr= 1--      0.4353                 2.6079                 0.5148
 AlphaG Fr= 1--      0.0000                 0.0217                -0.0578
 Gamma2 Fr= 1--      1.8053                -0.0713                -0.5102
 Delta2 Fr= 1--     -0.3170                 2.1505                -0.3222
 Raman1 Fr= 1--      12.188                 73.229                 22.843
 ROA1   Fr= 1--     163.162                 61.971                -59.290
 CID1   Fr= 1--      13.387                  0.846                 -2.596
 Raman2 Fr= 1--       5.223                 31.295                  6.178
 ROA2   Fr= 1--      45.862                -18.916                 -9.667
 CID2   Fr= 1--       8.780                 -0.604                 -1.565
 Raman3 Fr= 1--      10.447                 62.589                 12.356
 ROA3   Fr= 1--     163.162                 61.971                -59.290
 CID3   Fr= 1--      15.619                  0.990                 -4.798
 RC180  Fr= 1--       0.714                  0.709                  0.082
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.04   0.05
     2   6    -0.00  -0.00  -0.01    -0.00  -0.01  -0.01    -0.03   0.02  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.02   0.00
     4   6    -0.03  -0.02  -0.03    -0.03  -0.02  -0.03    -0.01  -0.00  -0.01
     5   6    -0.00  -0.04  -0.02    -0.00  -0.04  -0.02    -0.00   0.01   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.04  -0.05
     7   6    -0.00   0.00  -0.01     0.00  -0.01   0.01     0.03   0.02   0.00
     8   6    -0.00   0.04  -0.02     0.00  -0.04   0.02     0.00   0.01  -0.00
     9   6    -0.03   0.02  -0.03     0.03  -0.02   0.03     0.01  -0.00   0.01
    10   1    -0.00  -0.00   0.03    -0.01   0.00   0.01    -0.03   0.03  -0.43
    11   1    -0.00  -0.03   0.01     0.00  -0.02   0.00     0.13   0.39  -0.11
    12   1     0.32   0.17   0.05     0.30   0.16   0.05     0.17   0.08   0.03
    13   1     0.08   0.02   0.35     0.07   0.02   0.33     0.06  -0.01   0.19
    14   1    -0.12   0.19   0.25    -0.14   0.20   0.27     0.07  -0.09  -0.11
    15   1     0.10   0.32  -0.03     0.10   0.35  -0.04    -0.03  -0.16   0.03
    16   1    -0.00   0.03   0.01    -0.00  -0.02  -0.00    -0.13   0.39   0.11
    17   1    -0.00   0.00   0.04     0.01   0.00  -0.01     0.03   0.03   0.43
    18   1    -0.13  -0.19   0.26     0.14   0.20  -0.27    -0.07  -0.09   0.11
    19   1     0.10  -0.32  -0.03    -0.10   0.34   0.04     0.03  -0.16  -0.03
    20   1     0.32  -0.17   0.05    -0.30   0.16  -0.04    -0.17   0.08  -0.03
    21   1     0.08  -0.02   0.36    -0.07   0.02  -0.33    -0.06  -0.01  -0.19
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1492.7743              1536.1198              1653.5693
 Red. masses --      1.2224                 2.6872                 9.3190
 Frc consts  --      1.6050                 3.7360                15.0129
 IR Inten    --      0.7508                 0.0817                 0.3581
 RamAct Fr= 1--      0.3450                 4.6537                 2.5017
  Dep-P Fr= 1--      0.7500                 0.2489                 0.7500
  Dep-U Fr= 1--      0.8571                 0.3986                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0553                 0.0000
 Beta2  Fr= 1--      0.0493                 0.3092                 0.3574
 AlphaG Fr= 1--      0.0000                -0.0570                -0.0000
 Gamma2 Fr= 1--     -0.0641                 0.4700                -0.0327
 Delta2 Fr= 1--     -0.0469                -0.1493                 1.5953
 Raman1 Fr= 1--       1.380                 18.615                 10.007
 ROA1   Fr= 1--      -7.657                 40.343                 47.909
 CID1   Fr= 1--      -5.548                  2.167                  4.788
 Raman2 Fr= 1--       0.591                  3.710                  4.289
 ROA2   Fr= 1--      -1.163                 12.474                -13.548
 CID2   Fr= 1--      -1.967                  3.362                 -3.159
 Raman3 Fr= 1--       1.183                  7.420                  8.577
 ROA3   Fr= 1--      -7.657                 40.343                 47.909
 CID3   Fr= 1--      -6.473                  5.437                  5.586
 RC180  Fr= 1--       0.714                 -0.203                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.03     0.00  -0.05   0.05    -0.03  -0.12   0.15
     2   6     0.00   0.01  -0.01    -0.15   0.12  -0.06    -0.33   0.23  -0.08
     3   6    -0.05  -0.00   0.02    -0.00  -0.03   0.00     0.48   0.00  -0.21
     4   6     0.04   0.01   0.04     0.09   0.02   0.08     0.09   0.02   0.08
     5   6     0.01  -0.06  -0.02     0.02  -0.11  -0.04     0.03  -0.11  -0.04
     6   6     0.01  -0.02  -0.03    -0.00  -0.05  -0.05    -0.03   0.12   0.15
     7   6     0.00  -0.01  -0.01     0.15   0.12   0.06    -0.33  -0.23  -0.08
     8   6     0.01   0.06  -0.02    -0.02  -0.11   0.04     0.03   0.11  -0.04
     9   6     0.04  -0.01   0.04    -0.09   0.02  -0.08     0.09  -0.02   0.08
    10   1     0.04  -0.01   0.16     0.00  -0.03  -0.14    -0.07  -0.08  -0.14
    11   1    -0.04  -0.15   0.04     0.07   0.12  -0.01     0.07   0.16   0.06
    12   1    -0.29  -0.14  -0.03    -0.27  -0.14   0.01    -0.09  -0.07   0.05
    13   1    -0.07  -0.00  -0.32    -0.01  -0.00  -0.31     0.06  -0.01  -0.10
    14   1    -0.14   0.18   0.25    -0.14   0.13   0.25    -0.06   0.00   0.11
    15   1     0.09   0.32  -0.05     0.12   0.28  -0.07     0.09   0.06  -0.04
    16   1    -0.04   0.15   0.04    -0.07   0.12   0.01     0.07  -0.16   0.06
    17   1     0.04   0.01   0.16    -0.00  -0.03   0.14    -0.07   0.08  -0.14
    18   1    -0.14  -0.18   0.25     0.14   0.13  -0.25    -0.06  -0.00   0.11
    19   1     0.09  -0.32  -0.05    -0.12   0.28   0.07     0.09  -0.06  -0.04
    20   1    -0.29   0.14  -0.03     0.27  -0.14  -0.01    -0.09   0.07   0.05
    21   1    -0.07   0.00  -0.32     0.01  -0.00   0.31     0.06   0.01  -0.10
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3099.5500              3099.6413              3115.5248
 Red. masses --      1.0520                 1.0517                 1.0498
 Frc consts  --      5.9550                 5.9532                 6.0039
 IR Inten    --     32.9646                19.6260                35.9282
 RamAct Fr= 1--     26.2448               328.0939                24.0905
  Dep-P Fr= 1--      0.7404                 0.0304                 0.7480
  Dep-U Fr= 1--      0.8508                 0.0589                 0.8558
 Alpha2 Fr= 1--      0.0043                 6.7896                 0.0008
 Beta2  Fr= 1--      3.7217                 3.2230                 3.4363
 AlphaG Fr= 1--     -0.0006                -0.9221                 0.0006
 Gamma2 Fr= 1--    -26.0941                23.2104               -13.7263
 Delta2 Fr= 1--      1.6775                 6.2937               -13.2955
 Raman1 Fr= 1--     104.979               1312.375                 96.362
 ROA1   Fr= 1--   -2451.353               2429.596              -1743.178
 CID1   Fr= 1--     -23.351                  1.851                -18.090
 Raman2 Fr= 1--      44.660                 38.676                 41.235
 ROA2   Fr= 1--    -639.678                506.701               -223.066
 CID2   Fr= 1--     -14.323                 13.101                 -5.410
 Raman3 Fr= 1--      89.321                 77.352                 82.471
 ROA3   Fr= 1--   -2451.353               2429.596              -1743.178
 CID3   Fr= 1--     -27.444                 31.410                -21.137
 RC180  Fr= 1--       0.702                 -0.882                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.04    -0.01  -0.03   0.04     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.03  -0.01  -0.03
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.01
     6   6     0.00  -0.03  -0.04     0.01  -0.03  -0.04     0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.02  -0.01
     9   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.03
    10   1    -0.18  -0.46  -0.06     0.18   0.44   0.06    -0.00  -0.00  -0.00
    11   1     0.12   0.15   0.49    -0.12  -0.14  -0.46     0.00   0.00   0.00
    12   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.07  -0.07   0.44
    13   1    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.37   0.19  -0.12
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.12   0.20  -0.11
    15   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.14   0.05   0.21
    16   1     0.12  -0.14   0.46     0.12  -0.15   0.49     0.00  -0.00   0.00
    17   1    -0.17   0.44  -0.06    -0.18   0.46  -0.06    -0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.11  -0.19  -0.11
    19   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.13  -0.05   0.20
    20   1    -0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.06   0.06   0.42
    21   1    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.35  -0.18  -0.11
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3115.7149              3117.8851              3119.5406
 Red. masses --      1.0503                 1.0557                 1.0554
 Frc consts  --      6.0075                 6.0468                 6.0511
 IR Inten    --     10.5098                22.2131                24.0314
 RamAct Fr= 1--    178.7633                 0.9228               490.3766
  Dep-P Fr= 1--      0.2454                 0.4791                 0.0159
  Dep-U Fr= 1--      0.3941                 0.6478                 0.0312
 Alpha2 Fr= 1--      2.1461                 0.0050                10.5003
 Beta2  Fr= 1--     11.7414                 0.0996                 2.5518
 AlphaG Fr= 1--      1.1685                 0.0007                 0.7177
 Gamma2 Fr= 1--     20.5671                 2.7361                -8.4447
 Delta2 Fr= 1--      7.0755                 2.2662                 6.1155
 Raman1 Fr= 1--     715.053                  3.691               1961.506
 ROA1   Fr= 1--    2200.859                335.187               -614.995
 CID1   Fr= 1--       3.078                 90.808                 -0.314
 Raman2 Fr= 1--     140.897                  1.196                 30.622
 ROA2   Fr= 1--     437.007                 47.537               -251.596
 CID2   Fr= 1--       3.102                 39.762                 -8.216
 Raman3 Fr= 1--     281.794                  2.391                 61.243
 ROA3   Fr= 1--    2200.859                335.187               -614.995
 CID3   Fr= 1--       7.810                140.181                -10.042
 RC180  Fr= 1--      -0.212                  0.296                 -0.938
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.03   0.01   0.03     0.02   0.01   0.02    -0.01  -0.01  -0.01
     5   6    -0.00   0.01   0.01     0.00  -0.04  -0.02    -0.00   0.04   0.02
     6   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.02  -0.01     0.00   0.04  -0.01     0.00   0.04  -0.02
     9   6    -0.03   0.01  -0.03     0.02  -0.01   0.02     0.01  -0.01   0.01
    10   1    -0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   1     0.00   0.00   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1     0.07   0.07  -0.44     0.04   0.04  -0.26    -0.03  -0.03   0.19
    13   1    -0.37  -0.19   0.12    -0.21  -0.11   0.07     0.16   0.08  -0.05
    14   1    -0.09  -0.15   0.08     0.20   0.34  -0.19    -0.20  -0.34   0.19
    15   1     0.10  -0.04  -0.16    -0.24   0.08   0.36     0.25  -0.08  -0.38
    16   1    -0.00   0.00  -0.01     0.00  -0.00   0.00     0.00   0.00   0.00
    17   1     0.00  -0.01   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.09  -0.15  -0.09     0.19  -0.33  -0.18     0.21  -0.35  -0.20
    19   1    -0.11  -0.04   0.17    -0.23  -0.08   0.35    -0.26  -0.09   0.39
    20   1    -0.07   0.07   0.47     0.04  -0.04  -0.24     0.03  -0.03  -0.20
    21   1     0.39  -0.21  -0.13    -0.20   0.11   0.07    -0.17   0.09   0.06
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3178.8062              3179.3213              3188.6161
 Red. masses --      1.1177                 1.1167                 1.1189
 Frc consts  --      6.6541                 6.6508                 6.7027
 IR Inten    --     11.5452                 9.6999                 0.1028
 RamAct Fr= 1--    146.0455                32.1683                63.1542
  Dep-P Fr= 1--      0.7317                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8451                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0457                 0.0000                 0.0000
 Beta2  Fr= 1--     20.5696                 4.5955                 9.0220
 AlphaG Fr= 1--     -0.0564                -0.0000                 0.0000
 Gamma2 Fr= 1--      6.6068               -19.2052                31.6573
 Delta2 Fr= 1--     -4.7981                -1.8726                47.8731
 Raman1 Fr= 1--     584.182                128.673                252.617
 ROA1   Fr= 1--     480.715              -1903.626               4571.042
 CID1   Fr= 1--       0.823                -14.794                 18.095
 Raman2 Fr= 1--     246.835                 55.146                108.264
 ROA2   Fr= 1--     196.948               -445.945                376.791
 CID2   Fr= 1--       0.798                 -8.087                  3.480
 Raman3 Fr= 1--     493.670                110.291                216.529
 ROA3   Fr= 1--     480.715              -1903.626               4571.042
 CID3   Fr= 1--       0.974                -17.260                 21.111
 RC180  Fr= 1--       0.690                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.04     0.02   0.05   0.04    -0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.03   0.02  -0.04
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.02   0.04
     6   6     0.02  -0.05   0.04     0.02  -0.05   0.04    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.03   0.02   0.03
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.03  -0.02  -0.04
    10   1     0.19   0.47   0.05    -0.19  -0.47  -0.05     0.01   0.03   0.00
    11   1     0.11   0.13   0.45    -0.11  -0.13  -0.45     0.01   0.01   0.03
    12   1     0.00   0.00  -0.01    -0.00  -0.00   0.02    -0.04  -0.05   0.36
    13   1     0.01   0.00  -0.00    -0.02  -0.01   0.01    -0.33  -0.17   0.10
    14   1    -0.01  -0.01   0.00     0.01   0.01  -0.01     0.15   0.27  -0.14
    15   1    -0.01   0.00   0.01     0.01  -0.00  -0.01     0.18  -0.07  -0.28
    16   1    -0.11   0.13  -0.45    -0.11   0.13  -0.45     0.01  -0.01   0.03
    17   1    -0.19   0.47  -0.05    -0.19   0.47  -0.05     0.01  -0.03   0.00
    18   1     0.01  -0.01  -0.00     0.01  -0.01  -0.01     0.15  -0.26  -0.14
    19   1     0.01   0.00  -0.01     0.01   0.00  -0.01     0.18   0.07  -0.27
    20   1    -0.00   0.00   0.01    -0.00   0.00   0.02    -0.04   0.05   0.35
    21   1    -0.01   0.00   0.00    -0.02   0.01   0.01    -0.32   0.16   0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3189.3494              3202.4768              3203.3691
 Red. masses --      1.1190                 1.1163                 1.1163
 Frc consts  --      6.7064                 6.7451                 6.7490
 IR Inten    --      0.0902                35.7568                 4.1702
 RamAct Fr= 1--    109.2024                33.5999               116.5910
  Dep-P Fr= 1--      0.7464                 0.7498                 0.6811
  Dep-U Fr= 1--      0.8548                 0.8570                 0.8103
 Alpha2 Fr= 1--      0.0067                 0.0001                 0.1416
 Beta2  Fr= 1--     15.5570                 4.7992                15.7458
 AlphaG Fr= 1--      0.1618                -0.0003                -0.4446
 Gamma2 Fr= 1--    -20.0578                11.4061               -15.2623
 Delta2 Fr= 1--    -41.1818                 1.5002                -9.3206
 Raman1 Fr= 1--     436.809                134.400                466.364
 ROA1   Fr= 1--   -3243.363               1142.992              -1763.436
 CID1   Fr= 1--      -7.425                  8.504                 -3.781
 Raman2 Fr= 1--     186.684                 57.590                188.950
 ROA2   Fr= 1--    -151.932                261.744               -291.730
 CID2   Fr= 1--      -0.814                  4.545                 -1.544
 Raman3 Fr= 1--     373.369                115.181                377.900
 ROA3   Fr= 1--   -3243.363               1142.992              -1763.436
 CID3   Fr= 1--      -8.687                  9.923                 -4.666
 RC180  Fr= 1--       0.710                  0.714                  0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.03  -0.02   0.04     0.03   0.02  -0.04    -0.03  -0.02   0.03
     5   6     0.03   0.02  -0.03     0.03   0.02  -0.04    -0.03  -0.02   0.04
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.03   0.02   0.03     0.03  -0.02  -0.04     0.03  -0.02  -0.04
     9   6     0.03  -0.02  -0.04     0.03  -0.02  -0.03     0.03  -0.02  -0.03
    10   1    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   1    -0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.05   0.05  -0.36    -0.04  -0.04   0.33     0.04   0.04  -0.29
    13   1     0.33   0.17  -0.10    -0.30  -0.16   0.09     0.27   0.14  -0.08
    14   1    -0.14  -0.25   0.13    -0.17  -0.30   0.15     0.17   0.30  -0.16
    15   1    -0.16   0.06   0.24    -0.20   0.08   0.31     0.19  -0.08  -0.30
    16   1     0.00  -0.00   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    17   1     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    18   1     0.15  -0.26  -0.14    -0.16   0.28   0.15    -0.18   0.32   0.17
    19   1     0.17   0.06  -0.25    -0.19  -0.08   0.29    -0.21  -0.08   0.32
    20   1    -0.05   0.05   0.38    -0.04   0.04   0.32    -0.04   0.04   0.31
    21   1    -0.35   0.18   0.10    -0.28   0.15   0.08    -0.28   0.15   0.08

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Molecular mass:   120.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   570.081161550.720471674.13617
           X            1.00000  -0.00000   0.00147
           Y            0.00000   1.00000   0.00001
           Z           -0.00147  -0.00001   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.15193     0.05585     0.05174
 Rotational constants (GHZ):           3.16576     1.16381     1.07801
 Zero-point vibrational energy     476933.7 (Joules/Mol)
                                  113.98989 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    134.36   182.89   196.74   351.05   375.60
          (Kelvin)            445.58   578.64   612.88   663.73   814.25
                              899.12   951.58  1138.85  1145.25  1239.69
                             1240.27  1261.42  1304.13  1335.80  1343.23
                             1390.30  1431.03  1455.42  1488.19  1519.27
                             1531.78  1545.09  1552.25  1553.06  1589.87
                             1613.63  1627.32  1684.37  1695.60  1695.66
                             1709.58  1797.15  2049.41  2091.80  2110.00
                             2110.78  2130.40  2147.77  2210.13  2379.12
                             4459.56  4459.69  4482.55  4482.82  4485.94
                             4488.32  4573.59  4574.33  4587.71  4588.76
                             4607.65  4608.93
 
 Zero-point correction=                           0.181654 (Hartree/Particle)
 Thermal correction to Energy=                    0.190239
 Thermal correction to Enthalpy=                  0.191183
 Thermal correction to Gibbs Free Energy=         0.148598
 Sum of electronic and zero-point Energies=           -350.002429
 Sum of electronic and thermal Energies=              -349.993845
 Sum of electronic and thermal Enthalpies=            -349.992901
 Sum of electronic and thermal Free Energies=         -350.035486
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  119.377             34.007             89.627
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.264
 Rotational               0.889              2.981             28.783
 Vibrational            117.599             28.046             20.580
 Vibration     1          0.602              1.954              3.588
 Vibration     2          0.611              1.926              2.989
 Vibration     3          0.614              1.917              2.849
 Vibration     4          0.659              1.773              1.774
 Vibration     5          0.669              1.744              1.655
 Vibration     6          0.699              1.655              1.364
 Vibration     7          0.768              1.465              0.955
 Vibration     8          0.788              1.414              0.872
 Vibration     9          0.819              1.336              0.762
 Vibration    10          0.922              1.105              0.512
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.446408D-68        -68.350268       -157.382309
 Total V=0       0.160291D+16         15.204909         35.010597
 Vib (Bot)       0.198162D-81        -81.702980       -188.128064
 Vib (Bot)    1  0.220033D+01          0.342487          0.788606
 Vib (Bot)    2  0.160498D+01          0.205469          0.473109
 Vib (Bot)    3  0.148829D+01          0.172688          0.397630
 Vib (Bot)    4  0.802154D+00         -0.095742         -0.220454
 Vib (Bot)    5  0.743632D+00         -0.128642         -0.296209
 Vib (Bot)    6  0.610686D+00         -0.214182         -0.493173
 Vib (Bot)    7  0.442478D+00         -0.354108         -0.815363
 Vib (Bot)    8  0.410320D+00         -0.386877         -0.890817
 Vib (Bot)    9  0.368302D+00         -0.433796         -0.998851
 Vib (Bot)   10  0.273044D+00         -0.563768         -1.298123
 Vib (V=0)       0.711537D+02          1.852198          4.264843
 Vib (V=0)    1  0.275642D+01          0.440346          1.013933
 Vib (V=0)    2  0.218106D+01          0.338667          0.779809
 Vib (V=0)    3  0.207004D+01          0.315978          0.727566
 Vib (V=0)    4  0.144523D+01          0.159936          0.368265
 Vib (V=0)    5  0.139610D+01          0.144915          0.333680
 Vib (V=0)    6  0.128926D+01          0.110342          0.254071
 Vib (V=0)    7  0.116767D+01          0.067321          0.155013
 Vib (V=0)    8  0.114681D+01          0.059491          0.136984
 Vib (V=0)    9  0.112100D+01          0.049607          0.114225
 Vib (V=0)   10  0.106970D+01          0.029260          0.067374
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.517291D+08          7.713735         17.761532
 Rotational      0.435488D+06          5.638976         12.984222
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002690   -0.000000025   -0.000003013
      2        6          -0.000010787    0.000002749   -0.000006732
      3        6          -0.000008720   -0.000003790    0.000000425
      4        6           0.000000523   -0.000002350    0.000000264
      5        6          -0.000001810   -0.000008512    0.000004790
      6        6           0.000003730    0.000003953    0.000001422
      7        6           0.000003639   -0.000008569    0.000001357
      8        6          -0.000000251    0.000005298    0.000002184
      9        6          -0.000001978    0.000003708   -0.000001924
     10        1          -0.000000622   -0.000001406   -0.000001763
     11        1          -0.000008655    0.000004148   -0.000000368
     12        1           0.000003258   -0.000001417    0.000001135
     13        1           0.000002002   -0.000001139    0.000000197
     14        1           0.000013019    0.000005065   -0.000000252
     15        1           0.000000226    0.000003159   -0.000000979
     16        1           0.000004670   -0.000000735    0.000000630
     17        1           0.000000490    0.000000261    0.000003792
     18        1           0.000000722   -0.000001659    0.000001403
     19        1          -0.000002399    0.000001534   -0.000000159
     20        1          -0.000000664   -0.000002243   -0.000001158
     21        1           0.000000917    0.000001972   -0.000001250
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013019 RMS     0.000003867
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.121180D+03 -0.268764D-03  0.139500D+01
      2  -0.268764D-03  0.978739D+02  0.151267D-03
      3   0.139500D+01  0.151267D-03  0.926550D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.819731D+01 -0.324290D-03  0.146788D+01
      2  -0.167394D-02 -0.286611D+01  0.342326D-02
      3   0.262305D+02 -0.610238D-03 -0.336933D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.171298D-01 -0.260066D+02 -0.360631D-02
      2   0.498330D-02 -0.752521D+01 -0.108497D-01
      3   0.121465D-01  0.335318D+02  0.144560D-01
      4  -0.273914D+02 -0.126690D-02 -0.100500D+01
      5  -0.299112D-02  0.203272D+01  0.125724D-01
      6  -0.196256D+01 -0.130308D-01  0.171665D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.374038D+01  0.328477D+01 -0.550055D+01 -0.129842D+01 -0.342978D+01
      2   0.328477D+01 -0.445821D+01  0.968630D+00 -0.342978D+01 -0.276686D+01
      3  -0.550055D+01  0.968630D+00  0.290268D+01  0.200375D+01 -0.124563D+01
                 6             7             8             9            10 
      1   0.200375D+01 -0.193289D+01 -0.122799D+01  0.188930D+01 -0.270559D+00
      2  -0.124563D+01 -0.122799D+01 -0.252315D+01  0.229765D+01  0.850295D+00
      3   0.319946D+01  0.188930D+01  0.229765D+01  0.296621D+01 -0.135178D+01
                11            12            13            14            15 
      1   0.850295D+00 -0.135178D+01  0.279801D+01 -0.988714D+00 -0.305904D+01
      2   0.125626D+00  0.664087D+00 -0.988714D+00  0.114016D+01  0.122085D+01
      3   0.664087D+00 -0.183059D+00 -0.305904D+01  0.122085D+01 -0.135527D+01
                16            17            18            19            20 
      1  -0.558403D+01 -0.109844D+01  0.147192D+01 -0.131683D-02 -0.849719D+00
      2  -0.109844D+01  0.300371D+01 -0.103872D+01 -0.849719D+00  0.783529D-04
      3   0.147192D+01 -0.103872D+01  0.242499D-01 -0.343045D-04 -0.469003D-01
                21            22            23            24            25 
      1  -0.343045D-04  0.189729D+01 -0.187664D-02  0.356397D+01  0.825322D-03
      2  -0.469003D-01 -0.187664D-02  0.862109D+00  0.819671D-04  0.537399D+01
      3   0.110319D-03  0.356397D+01  0.819671D-04 -0.233790D+01  0.209887D-02
                26            27            28            29            30 
      1   0.537399D+01  0.209887D-02  0.226949D+00 -0.356766D+01  0.304891D+01
      2   0.311238D-03 -0.100044D+01 -0.356766D+01 -0.404765D+00 -0.371078D+00
      3  -0.100044D+01 -0.137020D-02  0.304891D+01 -0.371078D+00  0.207750D+01
                31            32            33            34            35 
      1  -0.663792D+01  0.259297D+01 -0.353191D+00  0.417705D+01  0.156708D+01
      2   0.259297D+01  0.202729D+01  0.322875D+01  0.156708D+01  0.182297D+01
      3  -0.353191D+00  0.322875D+01  0.237212D+01  0.553302D+00  0.169011D+01
                36            37            38            39            40 
      1   0.553302D+00  0.160211D+01 -0.305718D+01  0.816067D+00 -0.190004D+01
      2   0.169011D+01 -0.305718D+01  0.322738D+01 -0.344636D+01  0.242304D+01
      3  -0.348337D+01  0.816067D+00 -0.344636D+01 -0.350128D+01 -0.101931D+01
                41            42            43            44            45 
      1   0.242304D+01 -0.101931D+01  0.292760D+01 -0.453613D+01 -0.284012D+01
      2  -0.156921D+01 -0.230528D+01 -0.453613D+01 -0.206452D+01  0.234698D-01
      3  -0.230528D+01 -0.313839D+00 -0.284012D+01  0.234698D-01  0.752731D+00
                46            47            48            49            50 
      1  -0.373967D+01  0.328210D+01  0.550013D+01 -0.129870D+01  0.343037D+01
      2   0.328210D+01  0.445760D+01  0.970009D+00  0.343037D+01 -0.276797D+01
      3   0.550013D+01  0.970009D+00 -0.290470D+01  0.200559D+01  0.124284D+01
                51            52            53            54            55 
      1   0.200559D+01  0.193116D+01 -0.122722D+01 -0.189190D+01  0.276504D+00
      2   0.124284D+01 -0.122722D+01  0.252031D+01  0.229868D+01  0.850512D+00
      3   0.319944D+01 -0.189190D+01  0.229868D+01 -0.296241D+01  0.135223D+01
                56            57            58            59            60 
      1   0.850512D+00  0.135223D+01  0.279623D+01  0.990092D+00 -0.305830D+01
      2  -0.126433D+00  0.663657D+00  0.990092D+00  0.114287D+01 -0.121925D+01
      3   0.663657D+00  0.183297D+00 -0.305830D+01 -0.121925D+01 -0.135511D+01
                61            62            63            64            65 
      1   0.558479D+01 -0.109824D+01 -0.147401D+01 -0.160403D+01 -0.306093D+01
      2  -0.109824D+01 -0.300240D+01 -0.104039D+01 -0.306093D+01 -0.322360D+01
      3  -0.147401D+01 -0.104039D+01 -0.255051D-01 -0.815266D+00 -0.344800D+01
                66            67            68            69            70 
      1  -0.815266D+00 -0.190139D+01 -0.241976D+01 -0.102076D+01 -0.292656D+01
      2  -0.344800D+01 -0.241976D+01 -0.157128D+01  0.230621D+01 -0.453675D+01
      3   0.349829D+01 -0.102076D+01  0.230621D+01 -0.310853D+00  0.283811D+01
                71            72            73            74            75 
      1  -0.453675D+01  0.283811D+01 -0.233725D+00 -0.356652D+01 -0.305131D+01
      2   0.206594D+01  0.280327D-01 -0.356652D+01  0.405563D+00 -0.368686D+00
      3   0.280327D-01 -0.756534D+00 -0.305131D+01 -0.368686D+00 -0.207430D+01
                76            77            78            79            80 
      1  -0.663643D+01 -0.259363D+01 -0.351580D+00 -0.417977D+01  0.156875D+01
      2  -0.259363D+01  0.203025D+01 -0.322883D+01  0.156875D+01 -0.182364D+01
      3  -0.351580D+00 -0.322883D+01  0.236861D+01 -0.548743D+00  0.168720D+01
                81            82            83            84            85 
      1  -0.548743D+00  0.165865D+01  0.158628D+01 -0.179361D+00  0.301050D+01
      2   0.168720D+01  0.158628D+01  0.333874D+01 -0.849067D+00  0.308026D+01
      3   0.348756D+01 -0.179361D+00 -0.849067D+00  0.370597D+00 -0.977808D+00
                86            87            88            89            90 
      1   0.308026D+01 -0.977808D+00  0.104367D+01 -0.230429D-01  0.233405D+00
      2   0.976322D+01 -0.212863D+01 -0.230429D-01  0.473645D+00  0.116064D+01
      3  -0.212863D+01  0.179612D+01  0.233405D+00  0.116064D+01 -0.121834D+01
                91            92            93            94            95 
      1  -0.966841D+00 -0.768464D-01 -0.332956D+00 -0.989485D+00  0.570146D+00
      2  -0.768464D-01  0.190392D+00  0.416193D-01  0.570146D+00  0.465584D+00
      3  -0.332956D+00  0.416193D-01 -0.174564D+01 -0.280596D+00 -0.114800D+01
                96            97            98            99           100 
      1  -0.280596D+00 -0.173125D+01  0.634954D-01 -0.205678D+00  0.897333D+00
      2  -0.114800D+01  0.634954D-01 -0.157597D+01  0.108122D+01  0.632800D+00
      3  -0.183773D+01 -0.205678D+00  0.108122D+01 -0.103018D+02  0.786257D+00
               101           102           103           104           105 
      1   0.632800D+00  0.786257D+00  0.685986D+00  0.326091D+00  0.178797D+00
      2  -0.251313D+00  0.260491D+00  0.326091D+00 -0.577912D+00  0.647839D+00
      3   0.260491D+00 -0.453833D+00  0.178797D+00  0.647839D+00 -0.988461D+00
               106           107           108           109           110 
      1   0.262392D+01 -0.344132D+00  0.279593D+01  0.108766D+02  0.286857D+01
      2  -0.344132D+00  0.116697D+01 -0.767387D+00  0.286857D+01  0.179873D+01
      3   0.279593D+01 -0.767387D+00  0.944500D+01  0.524545D+00  0.176446D+00
               111           112           113           114           115 
      1   0.524545D+00  0.527234D+01  0.193547D+01  0.300159D+00 -0.213152D+01
      2   0.176446D+00  0.193547D+01  0.142780D+01 -0.192725D+00 -0.369788D+00
      3   0.111978D+01  0.300159D+00 -0.192725D+00  0.630512D+00  0.144338D+01
               116           117           118           119           120 
      1  -0.369788D+00  0.144338D+01 -0.123500D+01 -0.540142D+00  0.686864D-01
      2  -0.896212D+00  0.242694D+00 -0.540142D+00 -0.290019D+01  0.946450D+00
      3   0.242694D+00  0.500408D+00  0.686864D-01  0.946450D+00 -0.304822D+00
               121           122           123           124           125 
      1  -0.129014D+01 -0.346675D+00  0.405889D+00  0.745026D+00  0.734950D+00
      2  -0.346675D+00 -0.778391D+01  0.106881D+01  0.734950D+00  0.235225D+01
      3   0.405889D+00  0.106881D+01 -0.126708D+01  0.344457D+00 -0.155439D+01
               126           127           128           129           130 
      1   0.344457D+00  0.345720D+01 -0.155489D+01 -0.226588D+01 -0.598712D+00
      2  -0.155439D+01 -0.155489D+01  0.132690D+01  0.163211D+01  0.121091D+01
      3   0.891793D+00 -0.226588D+01  0.163211D+01  0.276748D+01  0.101885D+01
               131           132           133           134           135 
      1   0.121091D+01  0.101885D+01 -0.418434D+01  0.254668D+01  0.348279D+01
      2  -0.255683D+01 -0.141651D+01  0.254668D+01 -0.273618D+01 -0.263473D+01
      3  -0.141651D+01 -0.106699D+01  0.348279D+01 -0.263473D+01 -0.528458D+01
               136           137           138           139           140 
      1   0.968154D+00 -0.768259D-01  0.333082D+00 -0.989907D+00 -0.569878D+00
      2  -0.768259D-01 -0.189916D+00  0.415504D-01 -0.569878D+00  0.464847D+00
      3   0.333082D+00  0.415504D-01  0.174773D+01 -0.281084D+00  0.114836D+01
               141           142           143           144           145 
      1  -0.281084D+00  0.173105D+01  0.635787D-01  0.207806D+00 -0.165919D+01
      2   0.114836D+01  0.635787D-01  0.157555D+01  0.107951D+01  0.158625D+01
      3  -0.183865D+01  0.207806D+00  0.107951D+01  0.103001D+02  0.179972D+00
               146           147           148           149           150 
      1   0.158625D+01  0.179972D+00  0.301077D+01 -0.307983D+01 -0.978435D+00
      2  -0.333858D+01 -0.849798D+00 -0.307983D+01  0.976094D+01  0.213014D+01
      3  -0.849798D+00 -0.371003D+00 -0.978435D+00  0.213014D+01  0.179677D+01
               151           152           153           154           155 
      1  -0.104253D+01 -0.235803D-01 -0.233359D+00  0.123350D+01 -0.539165D+00
      2  -0.235803D-01 -0.471368D+00  0.116073D+01 -0.539165D+00  0.289727D+01
      3  -0.233359D+00  0.116073D+01  0.121918D+01 -0.691310D-01  0.947273D+00
               156           157           158           159           160 
      1  -0.691310D-01 -0.128964D+01  0.344696D+00  0.405968D+00 -0.746186D+00
      2   0.947273D+00  0.344696D+00 -0.778321D+01 -0.107197D+01  0.734473D+00
      3   0.305185D+00  0.405968D+00 -0.107197D+01 -0.126810D+01 -0.344306D+00
               161           162           163           164           165 
      1   0.734473D+00 -0.344306D+00 -0.345364D+01 -0.155390D+01  0.226414D+01
      2  -0.235624D+01 -0.155641D+01 -0.155390D+01 -0.132702D+01  0.163214D+01
      3  -0.155641D+01 -0.893964D+00  0.226414D+01  0.163214D+01 -0.276558D+01
               166           167           168           169           170 
      1  -0.599192D+00 -0.121166D+01  0.101933D+01  0.418321D+01  0.254712D+01
      2  -0.121166D+01 -0.255866D+01  0.141697D+01  0.254712D+01  0.273751D+01
      3   0.101933D+01  0.141697D+01 -0.106813D+01 -0.348146D+01 -0.263618D+01
               171           172           173           174           175 
      1  -0.348146D+01 -0.898813D+00  0.633091D+00 -0.786646D+00  0.686945D+00
      2  -0.263618D+01  0.633091D+00  0.250594D+00  0.260038D+00 -0.326461D+00
      3   0.528521D+01 -0.786646D+00  0.260038D+00  0.451079D+00  0.179009D+00
               176           177           178           179           180 
      1  -0.326461D+00  0.179009D+00 -0.262539D+01 -0.343710D+00 -0.279898D+01
      2  -0.577062D+00 -0.647538D+00 -0.343710D+00 -0.116677D+01 -0.764711D+00
      3  -0.647538D+00 -0.985736D+00 -0.279898D+01 -0.764711D+00 -0.944584D+01
               181           182           183           184           185 
      1  -0.108746D+02  0.286911D+01 -0.521108D+00  0.527189D+01 -0.193579D+01
      2   0.286911D+01 -0.179886D+01  0.175389D+00 -0.193579D+01  0.142783D+01
      3  -0.521108D+00  0.175389D+00 -0.111953D+01  0.298794D+00  0.193503D+00
               186           187           188           189 
      1   0.298794D+00  0.213617D+01 -0.371086D+00 -0.144396D+01
      2   0.193503D+00 -0.371086D+00  0.897296D+00  0.243408D+00
      3   0.630814D+00 -0.144396D+01  0.243408D+00 -0.498828D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.409677D+01  0.502360D+01 -0.654317D+01  0.535419D+01  0.881550D+01
      2  -0.199007D+01  0.221213D+01  0.210735D+01  0.425470D+01 -0.743165D+01
      3   0.187548D+00  0.414147D+01 -0.661607D+01  0.582791D+01 -0.242625D+01
                 6             7             8             9            10 
      1  -0.790278D+01 -0.325227D+01  0.405494D+01 -0.100127D+02 -0.269386D+00
      2   0.564152D+01 -0.471963D+01  0.206201D+01  0.648934D+01 -0.778301D+00
      3   0.341220D+01 -0.586385D+01  0.218369D+01  0.968412D+00  0.430703D+01
                11            12            13            14            15 
      1   0.112186D+01  0.255224D+01 -0.255105D+01  0.640080D+00 -0.423063D+01
      2  -0.140344D+00  0.396436D+01 -0.224263D+01  0.213076D+01 -0.535645D+01
      3  -0.829843D+01 -0.164356D+00  0.135351D+02 -0.340868D+01 -0.177621D+01
                16            17            18            19            20 
      1  -0.762999D+01  0.441360D+01  0.177792D+00  0.145832D-02 -0.215368D+01
      2  -0.965475D+01  0.234834D+01 -0.345166D-01 -0.398951D+01 -0.844769D-03
      3  -0.656904D+00 -0.636081D+01  0.296448D+01 -0.592017D-03 -0.579811D+01
                21            22            23            24            25 
      1  -0.943990D-04  0.383914D+01 -0.539840D-03 -0.868164D+00 -0.119130D-02
      2   0.651501D+01  0.726568D-05 -0.550990D+00  0.366871D-03 -0.144343D+02
      3   0.206668D-03  0.146452D+02 -0.285785D-02 -0.553116D+00  0.334560D-03
                26            27            28            29            30 
      1   0.349554D+01  0.200255D-02 -0.379858D+01  0.119114D+01  0.198368D+00
      2  -0.465110D-03  0.113292D+01  0.132300D+02  0.245547D+01  0.868297D+01
      3   0.595231D+01  0.219264D-02  0.964588D+01 -0.231121D+01  0.649044D+00
                31            32            33            34            35 
      1  -0.182791D+01  0.410319D+01  0.327569D+00  0.272149D+01  0.491671D+01
      2   0.426291D+01  0.963950D+01  0.778439D+01 -0.590567D+01  0.403569D+01
      3  -0.298156D+01 -0.826459D+01 -0.931790D+01 -0.335945D+01 -0.832875D+01
                36            37            38            39            40 
      1   0.276683D+01  0.188158D+01 -0.832716D+01 -0.410429D+01 -0.464714D+01
      2  -0.132092D+02 -0.721328D+00 -0.749223D+01 -0.569313D+01 -0.450771D+01
      3  -0.667968D+01  0.824767D+01 -0.910042D+01  0.745082D+01  0.116385D+01
                41            42            43            44            45 
      1  -0.493467D+01 -0.291446D+01 -0.623691D+01  0.648753D+01  0.147158D+01
      2  -0.381279D+01 -0.226460D+01 -0.729478D+01 -0.182212D+01 -0.128223D+00
      3  -0.110594D+01  0.975760D+01  0.928535D+01  0.130626D+02  0.666167D+01
                46            47            48            49            50 
      1  -0.409830D+01  0.502245D+01  0.654827D+01  0.535335D+01 -0.881332D+01
      2  -0.198980D+01 -0.221123D+01  0.210889D+01 -0.425445D+01 -0.742946D+01
      3  -0.188204D+00  0.413703D+01  0.661613D+01  0.582429D+01  0.242455D+01
                51            52            53            54            55 
      1  -0.790605D+01  0.326015D+01  0.404947D+01  0.100069D+02  0.269418D+00
      2  -0.564365D+01 -0.471643D+01 -0.206525D+01  0.648780D+01 -0.778770D+00
      3   0.341138D+01  0.586260D+01  0.218278D+01 -0.970845D+00 -0.430576D+01
                56            57            58            59            60 
      1   0.112114D+01 -0.255237D+01 -0.255288D+01 -0.640465D+00 -0.422993D+01
      2   0.140921D+00  0.396446D+01  0.224218D+01  0.212840D+01  0.535579D+01
      3  -0.829950D+01  0.164075D+00  0.135361D+02  0.341332D+01 -0.177240D+01
                61            62            63            64            65 
      1   0.762960D+01  0.441250D+01 -0.176601D+00 -0.187849D+01 -0.832579D+01
      2  -0.965294D+01 -0.234520D+01 -0.326620D-01 -0.721794D+00  0.749773D+01
      3   0.658288D+00 -0.635891D+01 -0.296807D+01 -0.825572D+01 -0.908407D+01
                66            67            68            69            70 
      1   0.410074D+01 -0.464619D+01  0.493611D+01 -0.290795D+01  0.623541D+01
      2  -0.568695D+01  0.451072D+01 -0.381816D+01  0.225741D+01 -0.729032D+01
      3  -0.745841D+01  0.117895D+01  0.109378D+01  0.976451D+01 -0.928895D+01
                71            72            73            74            75 
      1   0.649633D+01 -0.147542D+01  0.379666D+01  0.119048D+01 -0.199316D+00
      2   0.180966D+01 -0.116681D+00  0.132325D+02 -0.246191D+01  0.867071D+01
      3   0.130699D+02 -0.664670D+01 -0.964325D+01 -0.231231D+01 -0.641826D+00
                76            77            78            79            80 
      1  -0.182695D+01 -0.410314D+01  0.325206D+00 -0.272404D+01  0.491396D+01
      2  -0.426656D+01  0.964001D+01 -0.777237D+01 -0.592246D+01 -0.402374D+01
      3  -0.298570D+01  0.827647D+01 -0.932017D+01  0.336291D+01 -0.833088D+01
                81            82            83            84            85 
      1  -0.276402D+01 -0.258474D+01 -0.367753D+01 -0.312923D+00 -0.259154D+01
      2  -0.132193D+02  0.191762D+01  0.101495D+01  0.103869D+01  0.269260D+01
      3   0.666968D+01  0.125194D+01 -0.308172D+01  0.852285D+00  0.435306D+01
                86            87            88            89            90 
      1  -0.111103D+02 -0.222714D+01 -0.375705D+00 -0.143818D+01  0.373700D+00
      2   0.175137D+01  0.150717D+01 -0.107370D+00  0.128553D+01 -0.957787D+00
      3  -0.475883D+01  0.561593D+00  0.142108D+01 -0.173315D+00 -0.709111D+00
                91            92            93            94            95 
      1   0.161113D+01 -0.243422D-01  0.309585D+01 -0.389898D+00  0.140101D+01
      2  -0.289056D+01 -0.330355D+00 -0.113862D+01 -0.199421D+01 -0.704265D+00
      3  -0.791556D+00 -0.432849D+00 -0.439990D+00 -0.448624D+00  0.602890D-01
                96            97            98            99           100 
      1   0.331442D+01  0.378344D+00  0.357434D+01  0.138134D+02  0.108248D+01
      2  -0.279145D+01 -0.605682D+01  0.106525D+01 -0.110780D+02  0.252145D+01
      3   0.453933D+00 -0.242537D+01  0.115303D+01 -0.142402D+01 -0.145912D+01
               101           102           103           104           105 
      1  -0.523553D-01  0.341979D+00  0.247088D+00 -0.748353D+00 -0.604338D+00
      2   0.210106D+00 -0.153695D+01 -0.432568D+00  0.187198D+01 -0.324796D+01
      3  -0.110693D+00 -0.110894D+01 -0.381526D+00  0.149755D+01 -0.158828D+01
               106           107           108           109           110 
      1   0.691910D-01  0.400834D+01  0.141767D+01  0.341121D+01  0.174767D+01
      2   0.273658D+01 -0.191549D+01  0.266914D+02 -0.680977D+01 -0.145968D+01
      3   0.758788D+00 -0.377229D+01  0.203333D+01 -0.839404D+01 -0.844805D+01
               111           112           113           114           115 
      1  -0.644133D+00  0.227187D+01  0.131966D+01 -0.101951D+01 -0.438295D+00
      2   0.564377D+01 -0.270229D+01 -0.218300D+01  0.255296D+01  0.482484D+01
      3  -0.703774D+00 -0.356473D+01 -0.453852D+01  0.557293D+00  0.841840D+00
               116           117           118           119           120 
      1   0.336590D+00  0.738457D+00  0.100686D+01  0.270910D+01 -0.169405D+01
      2   0.124070D+01  0.439117D+00  0.650051D+00  0.133880D+01 -0.103090D+00
      3   0.263959D+01 -0.742802D+00  0.577436D+01  0.812265D+01 -0.304775D+01
               121           122           123           124           125 
      1   0.576058D+00  0.440540D+01 -0.500357D+01  0.463153D+00 -0.260692D+01
      2   0.638435D+00  0.182887D+01 -0.203515D+01 -0.213919D+00 -0.302863D+01
      3   0.589104D+01  0.207975D+02 -0.350030D+01 -0.382986D+01 -0.751026D+01
               126           127           128           129           130 
      1   0.256901D+01 -0.352241D+01  0.136473D+01  0.446350D+01  0.129019D+01
      2   0.139836D+01 -0.278451D+01  0.334613D+01  0.694170D+01  0.172271D+01
      3   0.379978D+01 -0.157330D+01 -0.205058D+01 -0.990266D+00 -0.420860D+00
               131           132           133           134           135 
      1  -0.819151D+00 -0.246976D+01  0.438220D+01 -0.102415D+01 -0.802273D+01
      2  -0.281467D+01 -0.259678D+01  0.331179D+01 -0.453953D+01 -0.105257D+02
      3   0.525360D+01  0.206418D+01  0.105137D+00  0.412973D+01  0.153461D+01
               136           137           138           139           140 
      1  -0.161210D+01 -0.224793D-01 -0.309858D+01 -0.388826D+00 -0.140238D+01
      2  -0.289412D+01  0.330507D+00 -0.114084D+01  0.199631D+01 -0.704871D+00
      3   0.792604D+00 -0.432401D+00  0.440253D+00 -0.448429D+00 -0.606552D-01
               141           142           143           144           145 
      1   0.331582D+01 -0.381481D+00  0.357698D+01 -0.138087D+02  0.258469D+01
      2   0.279289D+01 -0.605984D+01 -0.106326D+01 -0.110770D+02  0.191829D+01
      3   0.453299D+00  0.242386D+01  0.115155D+01  0.142434D+01 -0.125239D+01
               146           147           148           149           150 
      1  -0.367794D+01  0.312095D+00 -0.259094D+01  0.111087D+02 -0.222437D+01
      2  -0.101465D+01  0.103842D+01 -0.269356D+01  0.175129D+01 -0.150655D+01
      3  -0.308132D+01 -0.852565D+00  0.435283D+01  0.475594D+01  0.561658D+00
               151           152           153           154           155 
      1   0.374383D+00 -0.143464D+01 -0.374551D+00 -0.100674D+01  0.270749D+01
      2  -0.108639D+00 -0.128478D+01 -0.958641D+00  0.652773D+00 -0.134151D+01
      3  -0.141987D+01 -0.171885D+00  0.709290D+00 -0.576690D+01  0.811323D+01
               156           157           158           159           160 
      1   0.169379D+01  0.575391D+00 -0.440545D+01 -0.500585D+01 -0.463346D+00
      2  -0.104447D+00 -0.640663D+00  0.183695D+01  0.203837D+01 -0.215179D+00
      3   0.305071D+01  0.588475D+01 -0.207925D+02 -0.350885D+01  0.383137D+01
               161           162           163           164           165 
      1  -0.261027D+01 -0.257383D+01  0.352066D+01  0.136605D+01 -0.446154D+01
      2   0.303377D+01  0.140286D+01 -0.278383D+01 -0.334730D+01  0.693819D+01
      3  -0.752019D+01 -0.380583D+01  0.157130D+01 -0.205154D+01  0.992918D+00
               166           167           168           169           170 
      1   0.129117D+01  0.820060D+00 -0.247250D+01 -0.438181D+01 -0.102725D+01
      2  -0.172306D+01 -0.281542D+01  0.259922D+01  0.331045D+01  0.454309D+01
      3  -0.421521D+00 -0.525685D+01  0.206426D+01 -0.103482D+00  0.413119D+01
               171           172           173           174           175 
      1   0.802554D+01 -0.108213D+01 -0.506544D-01 -0.342372D+00  0.247268D+00
      2  -0.105287D+02  0.252014D+01 -0.208789D+00 -0.152821D+01  0.433110D+00
      3  -0.153912D+01  0.146062D+01 -0.113085D+00  0.110744D+01 -0.382514D+00
               176           177           178           179           180 
      1   0.747032D+00 -0.603538D+00 -0.692960D-01  0.400854D+01 -0.141514D+01
      2   0.187069D+01  0.324003D+01  0.274622D+01  0.190826D+01  0.266942D+02
      3  -0.149542D+01 -0.158729D+01 -0.759390D+00 -0.377286D+01 -0.202605D+01
               181           182           183           184           185 
      1  -0.341005D+01  0.174621D+01  0.646005D+00  0.227141D+01 -0.131912D+01
      2  -0.681432D+01  0.146218D+01  0.564576D+01  0.270403D+01 -0.218453D+01
      3   0.839203D+01 -0.844799D+01  0.700006D+00 -0.356395D+01  0.453804D+01
               186           187           188           189 
      1  -0.102051D+01  0.440288D+00  0.335918D+00 -0.739012D+00
      2  -0.255518D+01  0.482954D+01 -0.124370D+01  0.433450D+00
      3   0.559507D+00 -0.844425D+00  0.264376D+01  0.744440D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.868106D+01  0.154376D+02 -0.492906D+01  0.672461D+01 -0.203568D+01
      2  -0.147472D+01 -0.185567D+02  0.126417D+02 -0.109310D+02 -0.161036D+02
      3   0.101558D+02  0.311907D+01 -0.771260D+01  0.420635D+01  0.181392D+02
      4   0.704887D+01 -0.547815D+01 -0.371819D+01 -0.873718D+01 -0.176095D+02
      5  -0.148463D+02 -0.217758D+01  0.128961D+02  0.110644D+01  0.314399D+01
      6  -0.158973D+02  0.820666D+01  0.229969D+01  0.981494D+01  0.602020D+00
                 6             7             8             9            10 
      1   0.916792D+01  0.933401D+00  0.592061D+01  0.110437D+02  0.818795D+00
      2   0.123766D+01  0.431202D+01 -0.315771D+01  0.129055D+02 -0.247377D+01
      3  -0.104056D+02 -0.524542D+01 -0.276289D+01 -0.239491D+02  0.165497D+01
      4   0.121299D+01 -0.704443D+01 -0.318350D+01  0.761814D+01  0.464866D+01
      5   0.328562D+01  0.104396D+02  0.530589D+01 -0.265561D+01 -0.124649D+02
      6   0.691133D+01  0.493945D+01  0.752855D+01 -0.376748D+01  0.239820D+01
                11            12            13            14            15 
      1   0.555736D+00 -0.471371D+01 -0.404180D+00 -0.185614D+01 -0.557971D+01
      2   0.281110D+01  0.174844D+01  0.382182D+01  0.329835D+00  0.214973D+01
      3  -0.336684D+01  0.296527D+01 -0.341764D+01  0.152630D+01  0.342999D+01
      4  -0.118238D+01  0.471880D+01 -0.671513D+01  0.866057D+01  0.233809D+01
      5   0.636499D+01 -0.918265D+00 -0.179501D+01  0.625110D+00 -0.244390D+01
      6  -0.278370D+01  0.152854D+01 -0.454521D+01  0.207963D+01 -0.205624D+00
                16            17            18            19            20 
      1  -0.106202D+02 -0.358696D+01 -0.694967D+00 -0.356339D+01 -0.200090D-02
      2   0.511037D+01  0.233864D+01 -0.304138D+01  0.674930D+01 -0.205409D-03
      3   0.550988D+01  0.124832D+01  0.373634D+01 -0.318591D+01  0.220631D-02
      4   0.125009D+01  0.578946D+01 -0.219720D+01 -0.408937D-02 -0.161738D+00
      5  -0.475834D+00 -0.145542D+01  0.104180D+00  0.152315D+02  0.115340D-02
      6   0.519910D+01 -0.844903D+00  0.147309D+01  0.312259D-02  0.298666D+01
                21            22            23            24            25 
      1   0.172244D+01 -0.105998D-02 -0.159353D+01  0.209846D-02 -0.528014D+01
      2  -0.416179D+01 -0.190170D-02  0.426894D+01 -0.133945D-02  0.992777D+00
      3   0.243934D+01  0.296168D-02 -0.267541D+01 -0.759009D-03  0.428736D+01
      4   0.199994D-02 -0.269860D+01  0.213067D-02  0.323862D-01  0.522934D-02
      5  -0.909890D+01  0.596874D-02  0.108828D+00  0.369925D-03 -0.158997D+02
      6  -0.137420D-03  0.743965D+01  0.311889D-03 -0.208590D+01  0.101488D-02
                26            27            28            29            30 
      1  -0.132621D-03 -0.423095D+01 -0.123979D+02 -0.196543D+02  0.152990D+02
      2   0.821637D-03  0.161497D+01  0.177344D+01  0.927547D+01 -0.892250D+01
      3  -0.689017D-03  0.261598D+01  0.106245D+02  0.103788D+02 -0.637655D+01
      4   0.378883D+00 -0.539871D-03 -0.252927D+02 -0.247842D+01 -0.372315D+01
      5  -0.848520D-03  0.464216D+01  0.215847D+02 -0.449813D+01  0.133780D+02
      6  -0.123680D+01 -0.168675D-02 -0.563685D+01  0.987126D+00 -0.315536D+01
                31            32            33            34            35 
      1  -0.326782D+02  0.665154D+01 -0.109310D+01  0.265124D+02  0.363739D+01
      2   0.151617D+02 -0.645885D+01 -0.289713D+01 -0.114587D+02 -0.529469D+01
      3   0.175165D+02 -0.192693D+00  0.399023D+01 -0.150538D+02  0.165730D+01
      4   0.851525D+01  0.109968D+02  0.153891D+02  0.394483D+01  0.101684D+02
      5  -0.642709D+01  0.174907D+02  0.950795D+01  0.791981D+01  0.740621D+01
      6  -0.413709D+00  0.210462D+01  0.178362D+01 -0.204064D+01  0.157032D+01
                36            37            38            39            40 
      1   0.172673D+02  0.832208D+00 -0.523965D+01 -0.610016D+01 -0.255034D+01
      2   0.307260D+01  0.725680D+01 -0.874896D+01  0.452398D+01 -0.803079D+01
      3  -0.203399D+02 -0.808900D+01  0.139886D+02  0.157618D+01  0.105811D+02
      4   0.614073D+01 -0.113628D+02  0.138665D+02 -0.133525D+02  0.145983D+02
      5  -0.152108D+02  0.698837D+01 -0.153768D+02 -0.165512D+02 -0.658275D+01
      6   0.402133D+01 -0.342316D+00  0.866115D+01  0.898182D+01  0.548778D+01
                41            42            43            44            45 
      1   0.114851D+02 -0.103366D+02  0.187187D+01 -0.212306D+02 -0.122031D+02
      2  -0.529830D+01  0.121079D+02  0.125752D+01  0.173222D+02  0.878791D+01
      3  -0.618678D+01 -0.177127D+01 -0.312939D+01  0.390842D+01  0.341521D+01
      4  -0.177429D+02 -0.350503D+01 -0.195188D+02 -0.363804D+00  0.566317D+01
      5  -0.701213D+01  0.104930D+01 -0.149275D+02  0.280358D+01  0.851090D+01
      6   0.600566D+01 -0.185422D+01  0.117408D+02 -0.458274D+01 -0.386584D+01
                46            47            48            49            50 
      1  -0.868173D+01 -0.154325D+02 -0.492352D+01 -0.672681D+01 -0.203068D+01
      2  -0.148192D+01  0.185494D+02  0.126490D+02  0.109254D+02 -0.161009D+02
      3   0.101637D+02 -0.311690D+01 -0.772551D+01 -0.419859D+01  0.181316D+02
      4  -0.703582D+01 -0.548054D+01  0.371204D+01 -0.873906D+01  0.176079D+02
      5  -0.148435D+02  0.217106D+01  0.128968D+02 -0.111619D+01  0.315210D+01
      6   0.158894D+02  0.821009D+01 -0.229725D+01  0.982060D+01 -0.616070D+00
                51            52            53            54            55 
      1  -0.916783D+01  0.942460D+00 -0.591987D+01  0.110405D+02  0.802321D+00
      2  -0.124517D+01  0.431926D+01  0.314547D+01  0.128972D+02 -0.246576D+01
      3   0.104130D+02 -0.526172D+01  0.277440D+01 -0.239378D+02  0.166344D+01
      4   0.122197D+01  0.703836D+01 -0.317437D+01 -0.761934D+01 -0.465261D+01
      5  -0.328033D+01  0.104428D+02 -0.530465D+01 -0.267012D+01 -0.124680D+02
      6   0.690426D+01 -0.493993D+01  0.752361D+01  0.378042D+01 -0.239808D+01
                56            57            58            59            60 
      1  -0.558158D+00 -0.471359D+01  0.406232D+00 -0.186085D+01  0.557798D+01
      2  -0.280840D+01  0.175006D+01 -0.382081D+01  0.332450D+00 -0.214889D+01
      3   0.336656D+01  0.296353D+01  0.341457D+01  0.152840D+01 -0.342909D+01
      4  -0.117931D+01 -0.471828D+01 -0.671792D+01 -0.866634D+01  0.233399D+01
      5  -0.636279D+01 -0.919756D+00  0.179782D+01  0.622904D+00  0.244349D+01
      6  -0.278404D+01 -0.152857D+01 -0.454279D+01 -0.207596D+01 -0.203896D+00
                61            62            63            64            65 
      1  -0.106252D+02  0.358786D+01 -0.688067D+00  0.838812D+00  0.526406D+01
      2   0.511316D+01 -0.233943D+01 -0.304418D+01  0.725854D+01  0.872428D+01
      3   0.551205D+01 -0.124843D+01  0.373225D+01 -0.809736D+01 -0.139883D+02
      4  -0.125050D+01  0.578580D+01  0.220332D+01  0.113781D+02  0.138616D+02
      5  -0.467451D+00  0.146143D+01  0.109531D+00  0.697858D+01  0.153823D+02
      6  -0.519770D+01 -0.842709D+00 -0.147469D+01  0.340012D+00  0.866914D+01
                66            67            68            69            70 
      1  -0.610743D+01  0.256423D+01  0.114734D+02  0.103457D+02  0.186361D+01
      2   0.453681D+01  0.801406D+01 -0.528579D+01 -0.121171D+02  0.126847D+01
      3   0.157062D+01 -0.105783D+02 -0.618759D+01  0.177142D+01 -0.313207D+01
      4   0.133576D+02  0.145908D+02  0.177393D+02 -0.350331D+01  0.195192D+02
      5  -0.165367D+02  0.658763D+01 -0.701167D+01 -0.106002D+01 -0.149164D+02
      6  -0.897592D+01  0.549473D+01 -0.601222D+01 -0.186769D+01 -0.117371D+02
                71            72            73            74            75 
      1   0.212368D+02 -0.121791D+02 -0.123616D+02  0.196530D+02  0.153239D+02
      2  -0.173313D+02  0.876898D+01  0.175373D+01 -0.927338D+01 -0.892932D+01
      3  -0.390560D+01  0.341014D+01  0.106079D+02 -0.103796D+02 -0.639456D+01
      4  -0.365354D+00 -0.567686D+01  0.252882D+02 -0.248357D+01  0.370894D+01
      5  -0.282014D+01  0.852326D+01  0.216118D+02  0.448258D+01  0.133635D+02
      6  -0.459929D+01  0.387399D+01  0.562964D+01  0.985794D+00  0.314974D+01
                76            77            78            79            80 
      1   0.326740D+02  0.665364D+01  0.107766D+01  0.265403D+02 -0.365363D+01
      2  -0.151568D+02 -0.645897D+01  0.289908D+01 -0.114647D+02  0.529604D+01
      3  -0.175172D+02 -0.194672D+00 -0.397674D+01 -0.150756D+02 -0.164241D+01
      4   0.851405D+01 -0.110128D+02  0.153895D+02 -0.395767D+01  0.101709D+02
      5   0.640837D+01  0.174910D+02 -0.949567D+01  0.789227D+01 -0.739504D+01
      6  -0.414137D+00 -0.210871D+01  0.178602D+01  0.203702D+01  0.157210D+01
                81            82            83            84            85 
      1   0.172418D+02  0.328956D+01 -0.345519D+01  0.176603D+01 -0.265383D+01
      2   0.309176D+01  0.476228D+01  0.108771D+02 -0.283883D+01  0.109748D+02
      3  -0.203336D+02 -0.805184D+01 -0.742187D+01  0.107280D+01 -0.832092D+01
      4  -0.612935D+01  0.104794D+02  0.180486D+02 -0.342733D+01  0.163026D+02
      5  -0.152426D+02 -0.241164D+01 -0.492287D+01  0.359473D+01 -0.533671D+01
      6  -0.401312D+01 -0.254745D+01 -0.734317D+01  0.351797D+01 -0.814958D+01
                86            87            88            89            90 
      1  -0.237254D+02  0.690231D+01  0.268245D+01  0.779209D+00 -0.573226D+01
      2   0.457259D+02 -0.699480D+01 -0.783487D+00  0.386161D+01  0.211740D+01
      3  -0.220005D+02  0.924903D-01 -0.189896D+01 -0.464082D+01  0.361485D+01
      4   0.316710D+02 -0.751943D+01  0.179761D+01  0.111431D+01  0.353297D+01
      5  -0.854102D+01  0.504162D+01  0.140530D+01  0.318712D+01 -0.219324D+01
      6  -0.214472D+02  0.114140D+02  0.182193D+01  0.681473D+01 -0.385577D+01
                91            92            93            94            95 
      1  -0.534821D+00 -0.186432D+00 -0.533974D+01 -0.275378D+01 -0.399625D+01
      2  -0.258904D+01  0.110253D+01 -0.336284D+01  0.219677D+01  0.161733D+01
      3   0.312386D+01 -0.916102D+00  0.870258D+01  0.557018D+00  0.237892D+01
      4  -0.984374D+00  0.199089D+01 -0.146243D+01  0.253814D+01  0.193923D+01
      5   0.185497D+01 -0.383876D+00  0.508687D+01  0.174227D+01 -0.189020D+01
      6   0.410822D+00  0.267995D+00 -0.335232D+01 -0.148568D+01 -0.952565D+00
                96            97            98            99           100 
      1  -0.408419D+01 -0.247258D+01  0.565073D+01 -0.324549D+02  0.642768D+01
      2  -0.655162D+01 -0.766736D-01 -0.222636D+01 -0.217187D+02 -0.575125D+01
      3   0.106358D+02  0.254926D+01 -0.342437D+01  0.541736D+02 -0.676428D+00
      4  -0.194395D+01 -0.147238D+01 -0.307278D+01  0.822734D+00  0.292354D+01
      5  -0.226914D+01  0.532059D+01  0.141963D+01 -0.106486D+02  0.423526D+01
      6   0.526937D+01 -0.329640D+00  0.857377D+01 -0.164740D+02 -0.225828D+00
               101           102           103           104           105 
      1   0.219849D+01  0.682169D+01  0.445855D+01 -0.261293D+01  0.278630D+01
      2  -0.114097D+01 -0.219430D+01 -0.228706D+01  0.149566D+00  0.526551D+00
      3  -0.105752D+01 -0.462739D+01 -0.217149D+01  0.246336D+01 -0.331285D+01
      4   0.498357D+00  0.380151D+00  0.329410D+01 -0.276956D+01  0.317325D+01
      5   0.115331D+01  0.357592D+01  0.591252D+00  0.301486D+01 -0.442378D+01
      6  -0.861542D+00  0.427379D+00  0.186493D+01 -0.207709D+01  0.691819D+01
               106           107           108           109           110 
      1   0.674368D+01  0.158031D+01 -0.120209D+02  0.795576D+02  0.197878D+02
      2  -0.112227D+02  0.593700D+00 -0.224708D+02 -0.389594D+02 -0.924763D+01
      3   0.447902D+01 -0.217401D+01  0.344917D+02 -0.405982D+02 -0.105402D+02
      4  -0.131728D+01  0.600569D+01 -0.289512D+01  0.235823D+02  0.150477D+02
      5   0.196570D+02 -0.354930D+01  0.474678D+02  0.659958D+01  0.234885D+01
      6  -0.194721D+01  0.561559D+01 -0.711282D+01  0.275449D+01  0.138648D+01
               111           112           113           114           115 
      1   0.213981D+01  0.320990D+02  0.121405D+02  0.139039D+01 -0.148478D+02
      2  -0.241633D+01 -0.141344D+02 -0.287429D+01 -0.159198D+01  0.589199D+01
      3   0.276519D+00 -0.179646D+02 -0.926619D+01  0.201593D+00  0.895582D+01
      4   0.146114D+01  0.182319D+02  0.118395D+02 -0.751559D+00 -0.319849D+01
      5   0.984056D+01  0.437599D+01 -0.850090D+00  0.445080D+01  0.115757D+02
      6   0.674712D+00  0.183365D+01  0.108389D+01  0.166749D+01  0.436976D+00
               116           117           118           119           120 
      1  -0.256021D+01  0.654162D+01 -0.384780D+01 -0.989709D+01  0.234402D+01
      2   0.104717D+01 -0.560489D+01  0.424224D+01  0.141898D+02 -0.265224D+01
      3   0.151303D+01 -0.936729D+00 -0.394439D+00 -0.429267D+01  0.308214D+00
      4  -0.505810D+01  0.241482D+01  0.261645D+01 -0.266869D+01  0.181040D+01
      5   0.242372D+01  0.198201D+01 -0.344692D+00  0.305207D+01  0.437275D+00
      6   0.169283D+01 -0.833783D+00 -0.161250D+01 -0.289735D+01  0.180101D+01
               121           122           123           124           125 
      1  -0.593289D+01 -0.256924D+02  0.495767D+01  0.327703D+01  0.106986D+02
      2   0.489735D+01  0.403206D+02 -0.666414D+01 -0.257427D+01 -0.127203D+02
      3   0.103554D+01 -0.146282D+02  0.170647D+01 -0.702761D+00  0.202168D+01
      4   0.431849D+01 -0.202674D+02  0.156184D+01  0.996402D+00  0.491453D+01
      5   0.195799D+01  0.290060D+01 -0.521603D+01  0.378707D+01 -0.515905D+01
      6  -0.153318D+01 -0.642711D+01  0.710756D+01 -0.843205D+00  0.953791D+01
               126           127           128           129           130 
      1  -0.423462D+01  0.171002D+02 -0.496708D+01 -0.722141D+01 -0.853308D-01
      2   0.451388D+01 -0.105502D+02  0.197802D+01  0.508794D+01 -0.159495D+01
      3  -0.279264D+00 -0.654999D+01  0.298906D+01  0.213347D+01  0.168028D+01
      4  -0.416391D+01 -0.145045D+02  0.113748D+02  0.120622D+02  0.959381D+01
      5   0.201570D+01 -0.181164D+02  0.109524D+02  0.195382D+02  0.627318D+01
      6  -0.454916D+01  0.868655D+01 -0.711765D+01 -0.890914D+01 -0.589890D+01
               131           132           133           134           135 
      1  -0.218880D+01  0.705534D+00 -0.119062D+02  0.278709D+01  0.371583D+01
      2   0.571114D+01  0.147809D+01  0.858118D+01 -0.402134D+00 -0.102509D+02
      3  -0.352234D+01 -0.218362D+01  0.332507D+01 -0.238496D+01  0.653509D+01
      4  -0.134239D+02 -0.927549D+01  0.180443D+02 -0.165042D+02 -0.169352D+02
      5  -0.893768D+01 -0.670979D+01  0.238350D+02 -0.157331D+02 -0.309965D+02
      6   0.716268D+01  0.835983D+01 -0.129960D+02  0.136515D+02  0.184371D+02
               136           137           138           139           140 
      1  -0.535993D+00  0.185759D+00 -0.534465D+01  0.275501D+01 -0.399665D+01
      2  -0.258906D+01 -0.110095D+01 -0.336818D+01 -0.219498D+01  0.161563D+01
      3   0.312505D+01  0.915194D+00  0.871283D+01 -0.560026D+00  0.238101D+01
      4   0.984617D+00  0.198951D+01  0.146157D+01  0.253815D+01 -0.193754D+01
      5   0.185885D+01  0.383227D+00  0.508607D+01 -0.174214D+01 -0.188960D+01
      6  -0.411317D+00  0.269071D+00  0.335338D+01 -0.148540D+01  0.949899D+00
               141           142           143           144           145 
      1   0.408879D+01 -0.247703D+01 -0.564460D+01 -0.324533D+02  0.328988D+01
      2   0.655243D+01 -0.813305D-01  0.222789D+01 -0.217179D+02  0.476093D+01
      3  -0.106412D+02  0.255836D+01  0.341671D+01  0.541711D+02 -0.805082D+01
      4  -0.194388D+01  0.147101D+01 -0.307097D+01 -0.819348D+00 -0.104803D+02
      5   0.226832D+01  0.531782D+01 -0.141722D+01 -0.106359D+02 -0.241519D+01
      6   0.527034D+01  0.332664D+00  0.856968D+01  0.164571D+02  0.255129D+01
               146           147           148           149           150 
      1   0.345585D+01  0.176628D+01  0.265327D+01 -0.237215D+02 -0.690668D+01
      2  -0.108740D+02 -0.283981D+01 -0.109697D+02  0.457082D+02  0.699952D+01
      3   0.741811D+01  0.107353D+01  0.831641D+01 -0.219867D+02 -0.928442D-01
      4   0.180468D+02  0.343138D+01  0.162993D+02 -0.316610D+02 -0.752409D+01
      5   0.492668D+01  0.359685D+01  0.533978D+01 -0.854580D+01 -0.504442D+01
      6  -0.734680D+01 -0.352064D+01 -0.815368D+01  0.214571D+02  0.114193D+02
               151           152           153           154           155 
      1   0.268144D+01 -0.784411D+00 -0.573406D+01 -0.384298D+01  0.988657D+01
      2  -0.785325D+00 -0.385227D+01  0.211686D+01  0.423613D+01 -0.141745D+02
      3  -0.189612D+01  0.463668D+01  0.361720D+01 -0.393148D+00  0.428794D+01
      4  -0.179382D+01  0.110675D+01 -0.353350D+01 -0.261488D+01 -0.266441D+01
      5   0.140561D+01 -0.318817D+01 -0.219522D+01 -0.344290D+00 -0.305254D+01
      6  -0.182301D+01  0.681717D+01  0.385978D+01  0.161517D+01 -0.290354D+01
               156           157           158           159           160 
      1   0.234911D+01  0.592629D+01 -0.256837D+02 -0.496830D+01  0.328115D+01
      2  -0.265653D+01 -0.488767D+01  0.403089D+02  0.667746D+01 -0.257585D+01
      3   0.307428D+00 -0.103863D+01 -0.146252D+02 -0.170916D+01 -0.705299D+00
      4  -0.181059D+01  0.432298D+01  0.202755D+02  0.157080D+01 -0.992399D+00
      5   0.436585D+00 -0.195669D+01  0.290949D+01  0.521974D+01  0.378660D+01
      6  -0.180182D+01 -0.153376D+01  0.644760D+01  0.711412D+01  0.843033D+00
               161           162           163           164           165 
      1  -0.107101D+02 -0.424269D+01  0.170818D+02  0.496181D+01 -0.721349D+01
      2   0.127344D+02  0.452027D+01 -0.105374D+02 -0.197281D+01  0.507840D+01
      3  -0.202435D+01 -0.277577D+00 -0.654440D+01 -0.298900D+01  0.213509D+01
      4   0.492807D+01  0.417030D+01  0.144959D+02  0.113745D+02 -0.120603D+02
      5   0.516610D+01  0.202328D+01 -0.181010D+02 -0.109512D+02  0.195255D+02
      6   0.954807D+01  0.456043D+01 -0.868283D+01 -0.711717D+01  0.890532D+01
               166           167           168           169           170 
      1   0.852775D-01 -0.219194D+01 -0.704922D+00 -0.118993D+02 -0.278327D+01
      2   0.159699D+01  0.571712D+01 -0.147888D+01  0.857117D+01  0.397776D+00
      3  -0.168226D+01 -0.352518D+01  0.218380D+01  0.332810D+01  0.238549D+01
      4   0.959722D+01  0.134338D+02 -0.927799D+01 -0.180445D+02 -0.165103D+02
      5  -0.627538D+01 -0.893985D+01  0.671524D+01  0.238245D+02  0.157389D+02
      6  -0.590078D+01 -0.716748D+01  0.836494D+01  0.129954D+02  0.136592D+02
               171           172           173           174           175 
      1   0.370424D+01  0.643506D+01 -0.220267D+01  0.681832D+01 -0.446194D+01
      2  -0.102392D+02 -0.575710D+01  0.114275D+01 -0.220014D+01  0.228930D+01
      3   0.653498D+01 -0.677956D+00  0.105993D+01 -0.461818D+01  0.217263D+01
      4   0.169397D+02 -0.292521D+01  0.501719D+00 -0.379954D+00  0.329649D+01
      5  -0.309941D+02  0.424163D+01 -0.115253D+01  0.358941D+01 -0.593201D+00
      6  -0.184441D+02  0.224764D+00 -0.859502D+00 -0.424262D+00  0.186624D+01
               176           177           178           179           180 
      1  -0.260878D+01 -0.277943D+01  0.674650D+01 -0.157394D+01 -0.120021D+02
      2   0.147101D+00 -0.525128D+00 -0.112327D+02 -0.590782D+00 -0.224828D+02
      3   0.246168D+01  0.330456D+01  0.448623D+01  0.216473D+01  0.344849D+02
      4   0.276610D+01  0.317391D+01  0.131384D+01  0.600659D+01  0.288333D+01
      5   0.301575D+01  0.441176D+01  0.196772D+02  0.353751D+01  0.474882D+02
      6   0.207152D+01  0.691475D+01  0.194416D+01  0.561260D+01  0.709505D+01
               181           182           183           184           185 
      1   0.795462D+02 -0.197919D+02  0.211614D+01 -0.320979D+02  0.121418D+02
      2  -0.389501D+02  0.924822D+01 -0.240353D+01  0.141314D+02 -0.287354D+01
      3  -0.405961D+02  0.105437D+02  0.287383D+00  0.179664D+02 -0.926826D+01
      4  -0.235890D+02  0.150502D+02 -0.145331D+01  0.182359D+02 -0.118410D+02
      5   0.656566D+01 -0.234014D+01  0.983736D+01 -0.436150D+01 -0.857334D+00
      6  -0.274905D+01  0.138431D+01 -0.674153D+00  0.182926D+01 -0.108033D+01
               186           187           188           189 
      1  -0.138165D+01 -0.148778D+02  0.256891D+01  0.654603D+01
      2   0.158799D+01  0.590780D+01 -0.105088D+01 -0.560655D+01
      3  -0.206342D+00  0.896997D+01 -0.151803D+01 -0.939484D+00
      4  -0.758090D+00  0.320940D+01 -0.506596D+01 -0.241880D+01
      5  -0.445111D+01  0.115798D+02 -0.242747D+01  0.197060D+01
      6   0.166728D+01 -0.437466D+00  0.169265D+01  0.834273D+00
 Leave Link  716 at Fri Jul 16 13:30:20 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.121180D+03 -0.268764D-03  0.139500D+01
      2  -0.268764D-03  0.978739D+02  0.151267D-03
      3   0.139500D+01  0.151267D-03  0.926550D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.819731D+01 -0.324290D-03  0.146788D+01
      2  -0.167394D-02 -0.286611D+01  0.342326D-02
      3   0.262305D+02 -0.610238D-03 -0.336933D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.171298D-01 -0.260066D+02 -0.360631D-02
      2   0.498330D-02 -0.752521D+01 -0.108497D-01
      3   0.121465D-01  0.335318D+02  0.144560D-01
      4  -0.273914D+02 -0.126690D-02 -0.100500D+01
      5  -0.299112D-02  0.203272D+01  0.125724D-01
      6  -0.196256D+01 -0.130308D-01  0.171665D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.374038D+01  0.328477D+01 -0.550055D+01 -0.129842D+01 -0.342978D+01
      2   0.328477D+01 -0.445821D+01  0.968630D+00 -0.342978D+01 -0.276686D+01
      3  -0.550055D+01  0.968630D+00  0.290268D+01  0.200375D+01 -0.124563D+01
                 6             7             8             9            10 
      1   0.200375D+01 -0.193289D+01 -0.122799D+01  0.188930D+01 -0.270559D+00
      2  -0.124563D+01 -0.122799D+01 -0.252315D+01  0.229765D+01  0.850295D+00
      3   0.319946D+01  0.188930D+01  0.229765D+01  0.296621D+01 -0.135178D+01
                11            12            13            14            15 
      1   0.850295D+00 -0.135178D+01  0.279801D+01 -0.988714D+00 -0.305904D+01
      2   0.125626D+00  0.664087D+00 -0.988714D+00  0.114016D+01  0.122085D+01
      3   0.664087D+00 -0.183059D+00 -0.305904D+01  0.122085D+01 -0.135527D+01
                16            17            18            19            20 
      1  -0.558403D+01 -0.109844D+01  0.147192D+01 -0.131683D-02 -0.849719D+00
      2  -0.109844D+01  0.300371D+01 -0.103872D+01 -0.849719D+00  0.783529D-04
      3   0.147192D+01 -0.103872D+01  0.242499D-01 -0.343045D-04 -0.469003D-01
                21            22            23            24            25 
      1  -0.343045D-04  0.189729D+01 -0.187664D-02  0.356397D+01  0.825322D-03
      2  -0.469003D-01 -0.187664D-02  0.862109D+00  0.819671D-04  0.537399D+01
      3   0.110319D-03  0.356397D+01  0.819671D-04 -0.233790D+01  0.209887D-02
                26            27            28            29            30 
      1   0.537399D+01  0.209887D-02  0.226949D+00 -0.356766D+01  0.304891D+01
      2   0.311238D-03 -0.100044D+01 -0.356766D+01 -0.404765D+00 -0.371078D+00
      3  -0.100044D+01 -0.137020D-02  0.304891D+01 -0.371078D+00  0.207750D+01
                31            32            33            34            35 
      1  -0.663792D+01  0.259297D+01 -0.353191D+00  0.417705D+01  0.156708D+01
      2   0.259297D+01  0.202729D+01  0.322875D+01  0.156708D+01  0.182297D+01
      3  -0.353191D+00  0.322875D+01  0.237212D+01  0.553302D+00  0.169011D+01
                36            37            38            39            40 
      1   0.553302D+00  0.160211D+01 -0.305718D+01  0.816067D+00 -0.190004D+01
      2   0.169011D+01 -0.305718D+01  0.322738D+01 -0.344636D+01  0.242304D+01
      3  -0.348337D+01  0.816067D+00 -0.344636D+01 -0.350128D+01 -0.101931D+01
                41            42            43            44            45 
      1   0.242304D+01 -0.101931D+01  0.292760D+01 -0.453613D+01 -0.284012D+01
      2  -0.156921D+01 -0.230528D+01 -0.453613D+01 -0.206452D+01  0.234698D-01
      3  -0.230528D+01 -0.313839D+00 -0.284012D+01  0.234698D-01  0.752731D+00
                46            47            48            49            50 
      1  -0.373967D+01  0.328210D+01  0.550013D+01 -0.129870D+01  0.343037D+01
      2   0.328210D+01  0.445760D+01  0.970009D+00  0.343037D+01 -0.276797D+01
      3   0.550013D+01  0.970009D+00 -0.290470D+01  0.200559D+01  0.124284D+01
                51            52            53            54            55 
      1   0.200559D+01  0.193116D+01 -0.122722D+01 -0.189190D+01  0.276504D+00
      2   0.124284D+01 -0.122722D+01  0.252031D+01  0.229868D+01  0.850512D+00
      3   0.319944D+01 -0.189190D+01  0.229868D+01 -0.296241D+01  0.135223D+01
                56            57            58            59            60 
      1   0.850512D+00  0.135223D+01  0.279623D+01  0.990092D+00 -0.305830D+01
      2  -0.126433D+00  0.663657D+00  0.990092D+00  0.114287D+01 -0.121925D+01
      3   0.663657D+00  0.183297D+00 -0.305830D+01 -0.121925D+01 -0.135511D+01
                61            62            63            64            65 
      1   0.558479D+01 -0.109824D+01 -0.147401D+01 -0.160403D+01 -0.306093D+01
      2  -0.109824D+01 -0.300240D+01 -0.104039D+01 -0.306093D+01 -0.322360D+01
      3  -0.147401D+01 -0.104039D+01 -0.255051D-01 -0.815266D+00 -0.344800D+01
                66            67            68            69            70 
      1  -0.815266D+00 -0.190139D+01 -0.241976D+01 -0.102076D+01 -0.292656D+01
      2  -0.344800D+01 -0.241976D+01 -0.157128D+01  0.230621D+01 -0.453675D+01
      3   0.349829D+01 -0.102076D+01  0.230621D+01 -0.310853D+00  0.283811D+01
                71            72            73            74            75 
      1  -0.453675D+01  0.283811D+01 -0.233725D+00 -0.356652D+01 -0.305131D+01
      2   0.206594D+01  0.280327D-01 -0.356652D+01  0.405563D+00 -0.368686D+00
      3   0.280327D-01 -0.756534D+00 -0.305131D+01 -0.368686D+00 -0.207430D+01
                76            77            78            79            80 
      1  -0.663643D+01 -0.259363D+01 -0.351580D+00 -0.417977D+01  0.156875D+01
      2  -0.259363D+01  0.203025D+01 -0.322883D+01  0.156875D+01 -0.182364D+01
      3  -0.351580D+00 -0.322883D+01  0.236861D+01 -0.548743D+00  0.168720D+01
                81            82            83            84            85 
      1  -0.548743D+00  0.165865D+01  0.158628D+01 -0.179361D+00  0.301050D+01
      2   0.168720D+01  0.158628D+01  0.333874D+01 -0.849067D+00  0.308026D+01
      3   0.348756D+01 -0.179361D+00 -0.849067D+00  0.370597D+00 -0.977808D+00
                86            87            88            89            90 
      1   0.308026D+01 -0.977808D+00  0.104367D+01 -0.230429D-01  0.233405D+00
      2   0.976322D+01 -0.212863D+01 -0.230429D-01  0.473645D+00  0.116064D+01
      3  -0.212863D+01  0.179612D+01  0.233405D+00  0.116064D+01 -0.121834D+01
                91            92            93            94            95 
      1  -0.966841D+00 -0.768464D-01 -0.332956D+00 -0.989485D+00  0.570146D+00
      2  -0.768464D-01  0.190392D+00  0.416193D-01  0.570146D+00  0.465584D+00
      3  -0.332956D+00  0.416193D-01 -0.174564D+01 -0.280596D+00 -0.114800D+01
                96            97            98            99           100 
      1  -0.280596D+00 -0.173125D+01  0.634954D-01 -0.205678D+00  0.897333D+00
      2  -0.114800D+01  0.634954D-01 -0.157597D+01  0.108122D+01  0.632800D+00
      3  -0.183773D+01 -0.205678D+00  0.108122D+01 -0.103018D+02  0.786257D+00
               101           102           103           104           105 
      1   0.632800D+00  0.786257D+00  0.685986D+00  0.326091D+00  0.178797D+00
      2  -0.251313D+00  0.260491D+00  0.326091D+00 -0.577912D+00  0.647839D+00
      3   0.260491D+00 -0.453833D+00  0.178797D+00  0.647839D+00 -0.988461D+00
               106           107           108           109           110 
      1   0.262392D+01 -0.344132D+00  0.279593D+01  0.108766D+02  0.286857D+01
      2  -0.344132D+00  0.116697D+01 -0.767387D+00  0.286857D+01  0.179873D+01
      3   0.279593D+01 -0.767387D+00  0.944500D+01  0.524545D+00  0.176446D+00
               111           112           113           114           115 
      1   0.524545D+00  0.527234D+01  0.193547D+01  0.300159D+00 -0.213152D+01
      2   0.176446D+00  0.193547D+01  0.142780D+01 -0.192725D+00 -0.369788D+00
      3   0.111978D+01  0.300159D+00 -0.192725D+00  0.630512D+00  0.144338D+01
               116           117           118           119           120 
      1  -0.369788D+00  0.144338D+01 -0.123500D+01 -0.540142D+00  0.686864D-01
      2  -0.896212D+00  0.242694D+00 -0.540142D+00 -0.290019D+01  0.946450D+00
      3   0.242694D+00  0.500408D+00  0.686864D-01  0.946450D+00 -0.304822D+00
               121           122           123           124           125 
      1  -0.129014D+01 -0.346675D+00  0.405889D+00  0.745026D+00  0.734950D+00
      2  -0.346675D+00 -0.778391D+01  0.106881D+01  0.734950D+00  0.235225D+01
      3   0.405889D+00  0.106881D+01 -0.126708D+01  0.344457D+00 -0.155439D+01
               126           127           128           129           130 
      1   0.344457D+00  0.345720D+01 -0.155489D+01 -0.226588D+01 -0.598712D+00
      2  -0.155439D+01 -0.155489D+01  0.132690D+01  0.163211D+01  0.121091D+01
      3   0.891793D+00 -0.226588D+01  0.163211D+01  0.276748D+01  0.101885D+01
               131           132           133           134           135 
      1   0.121091D+01  0.101885D+01 -0.418434D+01  0.254668D+01  0.348279D+01
      2  -0.255683D+01 -0.141651D+01  0.254668D+01 -0.273618D+01 -0.263473D+01
      3  -0.141651D+01 -0.106699D+01  0.348279D+01 -0.263473D+01 -0.528458D+01
               136           137           138           139           140 
      1   0.968154D+00 -0.768259D-01  0.333082D+00 -0.989907D+00 -0.569878D+00
      2  -0.768259D-01 -0.189916D+00  0.415504D-01 -0.569878D+00  0.464847D+00
      3   0.333082D+00  0.415504D-01  0.174773D+01 -0.281084D+00  0.114836D+01
               141           142           143           144           145 
      1  -0.281084D+00  0.173105D+01  0.635787D-01  0.207806D+00 -0.165919D+01
      2   0.114836D+01  0.635787D-01  0.157555D+01  0.107951D+01  0.158625D+01
      3  -0.183865D+01  0.207806D+00  0.107951D+01  0.103001D+02  0.179972D+00
               146           147           148           149           150 
      1   0.158625D+01  0.179972D+00  0.301077D+01 -0.307983D+01 -0.978435D+00
      2  -0.333858D+01 -0.849798D+00 -0.307983D+01  0.976094D+01  0.213014D+01
      3  -0.849798D+00 -0.371003D+00 -0.978435D+00  0.213014D+01  0.179677D+01
               151           152           153           154           155 
      1  -0.104253D+01 -0.235803D-01 -0.233359D+00  0.123350D+01 -0.539165D+00
      2  -0.235803D-01 -0.471368D+00  0.116073D+01 -0.539165D+00  0.289727D+01
      3  -0.233359D+00  0.116073D+01  0.121918D+01 -0.691310D-01  0.947273D+00
               156           157           158           159           160 
      1  -0.691310D-01 -0.128964D+01  0.344696D+00  0.405968D+00 -0.746186D+00
      2   0.947273D+00  0.344696D+00 -0.778321D+01 -0.107197D+01  0.734473D+00
      3   0.305185D+00  0.405968D+00 -0.107197D+01 -0.126810D+01 -0.344306D+00
               161           162           163           164           165 
      1   0.734473D+00 -0.344306D+00 -0.345364D+01 -0.155390D+01  0.226414D+01
      2  -0.235624D+01 -0.155641D+01 -0.155390D+01 -0.132702D+01  0.163214D+01
      3  -0.155641D+01 -0.893964D+00  0.226414D+01  0.163214D+01 -0.276558D+01
               166           167           168           169           170 
      1  -0.599192D+00 -0.121166D+01  0.101933D+01  0.418321D+01  0.254712D+01
      2  -0.121166D+01 -0.255866D+01  0.141697D+01  0.254712D+01  0.273751D+01
      3   0.101933D+01  0.141697D+01 -0.106813D+01 -0.348146D+01 -0.263618D+01
               171           172           173           174           175 
      1  -0.348146D+01 -0.898813D+00  0.633091D+00 -0.786646D+00  0.686945D+00
      2  -0.263618D+01  0.633091D+00  0.250594D+00  0.260038D+00 -0.326461D+00
      3   0.528521D+01 -0.786646D+00  0.260038D+00  0.451079D+00  0.179009D+00
               176           177           178           179           180 
      1  -0.326461D+00  0.179009D+00 -0.262539D+01 -0.343710D+00 -0.279898D+01
      2  -0.577062D+00 -0.647538D+00 -0.343710D+00 -0.116677D+01 -0.764711D+00
      3  -0.647538D+00 -0.985736D+00 -0.279898D+01 -0.764711D+00 -0.944584D+01
               181           182           183           184           185 
      1  -0.108746D+02  0.286911D+01 -0.521108D+00  0.527189D+01 -0.193579D+01
      2   0.286911D+01 -0.179886D+01  0.175389D+00 -0.193579D+01  0.142783D+01
      3  -0.521108D+00  0.175389D+00 -0.111953D+01  0.298794D+00  0.193503D+00
               186           187           188           189 
      1   0.298794D+00  0.213617D+01 -0.371086D+00 -0.144396D+01
      2   0.193503D+00 -0.371086D+00  0.897296D+00  0.243408D+00
      3   0.630814D+00 -0.144396D+01  0.243408D+00 -0.498828D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.409677D+01  0.502360D+01 -0.654317D+01  0.535419D+01  0.881550D+01
      2  -0.199007D+01  0.221213D+01  0.210735D+01  0.425470D+01 -0.743165D+01
      3   0.187548D+00  0.414147D+01 -0.661607D+01  0.582791D+01 -0.242625D+01
                 6             7             8             9            10 
      1  -0.790278D+01 -0.325227D+01  0.405494D+01 -0.100127D+02 -0.269386D+00
      2   0.564152D+01 -0.471963D+01  0.206201D+01  0.648934D+01 -0.778301D+00
      3   0.341220D+01 -0.586385D+01  0.218369D+01  0.968412D+00  0.430703D+01
                11            12            13            14            15 
      1   0.112186D+01  0.255224D+01 -0.255105D+01  0.640080D+00 -0.423063D+01
      2  -0.140344D+00  0.396436D+01 -0.224263D+01  0.213076D+01 -0.535645D+01
      3  -0.829843D+01 -0.164356D+00  0.135351D+02 -0.340868D+01 -0.177621D+01
                16            17            18            19            20 
      1  -0.762999D+01  0.441360D+01  0.177792D+00  0.145832D-02 -0.215368D+01
      2  -0.965475D+01  0.234834D+01 -0.345166D-01 -0.398951D+01 -0.844769D-03
      3  -0.656904D+00 -0.636081D+01  0.296448D+01 -0.592017D-03 -0.579811D+01
                21            22            23            24            25 
      1  -0.943990D-04  0.383914D+01 -0.539840D-03 -0.868164D+00 -0.119130D-02
      2   0.651501D+01  0.726568D-05 -0.550990D+00  0.366871D-03 -0.144343D+02
      3   0.206668D-03  0.146452D+02 -0.285785D-02 -0.553116D+00  0.334560D-03
                26            27            28            29            30 
      1   0.349554D+01  0.200255D-02 -0.379858D+01  0.119114D+01  0.198368D+00
      2  -0.465110D-03  0.113292D+01  0.132300D+02  0.245547D+01  0.868297D+01
      3   0.595231D+01  0.219264D-02  0.964588D+01 -0.231121D+01  0.649044D+00
                31            32            33            34            35 
      1  -0.182791D+01  0.410319D+01  0.327569D+00  0.272149D+01  0.491671D+01
      2   0.426291D+01  0.963950D+01  0.778439D+01 -0.590567D+01  0.403569D+01
      3  -0.298156D+01 -0.826459D+01 -0.931790D+01 -0.335945D+01 -0.832875D+01
                36            37            38            39            40 
      1   0.276683D+01  0.188158D+01 -0.832716D+01 -0.410429D+01 -0.464714D+01
      2  -0.132092D+02 -0.721328D+00 -0.749223D+01 -0.569313D+01 -0.450771D+01
      3  -0.667968D+01  0.824767D+01 -0.910042D+01  0.745082D+01  0.116385D+01
                41            42            43            44            45 
      1  -0.493467D+01 -0.291446D+01 -0.623691D+01  0.648753D+01  0.147158D+01
      2  -0.381279D+01 -0.226460D+01 -0.729478D+01 -0.182212D+01 -0.128223D+00
      3  -0.110594D+01  0.975760D+01  0.928535D+01  0.130626D+02  0.666167D+01
                46            47            48            49            50 
      1  -0.409830D+01  0.502245D+01  0.654827D+01  0.535335D+01 -0.881332D+01
      2  -0.198980D+01 -0.221123D+01  0.210889D+01 -0.425445D+01 -0.742946D+01
      3  -0.188204D+00  0.413703D+01  0.661613D+01  0.582429D+01  0.242455D+01
                51            52            53            54            55 
      1  -0.790605D+01  0.326015D+01  0.404947D+01  0.100069D+02  0.269418D+00
      2  -0.564365D+01 -0.471643D+01 -0.206525D+01  0.648780D+01 -0.778770D+00
      3   0.341138D+01  0.586260D+01  0.218278D+01 -0.970845D+00 -0.430576D+01
                56            57            58            59            60 
      1   0.112114D+01 -0.255237D+01 -0.255288D+01 -0.640465D+00 -0.422993D+01
      2   0.140921D+00  0.396446D+01  0.224218D+01  0.212840D+01  0.535579D+01
      3  -0.829950D+01  0.164075D+00  0.135361D+02  0.341332D+01 -0.177240D+01
                61            62            63            64            65 
      1   0.762960D+01  0.441250D+01 -0.176601D+00 -0.187849D+01 -0.832579D+01
      2  -0.965294D+01 -0.234520D+01 -0.326620D-01 -0.721794D+00  0.749773D+01
      3   0.658288D+00 -0.635891D+01 -0.296807D+01 -0.825572D+01 -0.908407D+01
                66            67            68            69            70 
      1   0.410074D+01 -0.464619D+01  0.493611D+01 -0.290795D+01  0.623541D+01
      2  -0.568695D+01  0.451072D+01 -0.381816D+01  0.225741D+01 -0.729032D+01
      3  -0.745841D+01  0.117895D+01  0.109378D+01  0.976451D+01 -0.928895D+01
                71            72            73            74            75 
      1   0.649633D+01 -0.147542D+01  0.379666D+01  0.119048D+01 -0.199316D+00
      2   0.180966D+01 -0.116681D+00  0.132325D+02 -0.246191D+01  0.867071D+01
      3   0.130699D+02 -0.664670D+01 -0.964325D+01 -0.231231D+01 -0.641826D+00
                76            77            78            79            80 
      1  -0.182695D+01 -0.410314D+01  0.325206D+00 -0.272404D+01  0.491396D+01
      2  -0.426656D+01  0.964001D+01 -0.777237D+01 -0.592246D+01 -0.402374D+01
      3  -0.298570D+01  0.827647D+01 -0.932017D+01  0.336291D+01 -0.833088D+01
                81            82            83            84            85 
      1  -0.276402D+01 -0.258474D+01 -0.367753D+01 -0.312923D+00 -0.259154D+01
      2  -0.132193D+02  0.191762D+01  0.101495D+01  0.103869D+01  0.269260D+01
      3   0.666968D+01  0.125194D+01 -0.308172D+01  0.852285D+00  0.435306D+01
                86            87            88            89            90 
      1  -0.111103D+02 -0.222714D+01 -0.375705D+00 -0.143818D+01  0.373700D+00
      2   0.175137D+01  0.150717D+01 -0.107370D+00  0.128553D+01 -0.957787D+00
      3  -0.475883D+01  0.561593D+00  0.142108D+01 -0.173315D+00 -0.709111D+00
                91            92            93            94            95 
      1   0.161113D+01 -0.243422D-01  0.309585D+01 -0.389898D+00  0.140101D+01
      2  -0.289056D+01 -0.330355D+00 -0.113862D+01 -0.199421D+01 -0.704265D+00
      3  -0.791556D+00 -0.432849D+00 -0.439990D+00 -0.448624D+00  0.602890D-01
                96            97            98            99           100 
      1   0.331442D+01  0.378344D+00  0.357434D+01  0.138134D+02  0.108248D+01
      2  -0.279145D+01 -0.605682D+01  0.106525D+01 -0.110780D+02  0.252145D+01
      3   0.453933D+00 -0.242537D+01  0.115303D+01 -0.142402D+01 -0.145912D+01
               101           102           103           104           105 
      1  -0.523553D-01  0.341979D+00  0.247088D+00 -0.748353D+00 -0.604338D+00
      2   0.210106D+00 -0.153695D+01 -0.432568D+00  0.187198D+01 -0.324796D+01
      3  -0.110693D+00 -0.110894D+01 -0.381526D+00  0.149755D+01 -0.158828D+01
               106           107           108           109           110 
      1   0.691910D-01  0.400834D+01  0.141767D+01  0.341121D+01  0.174767D+01
      2   0.273658D+01 -0.191549D+01  0.266914D+02 -0.680977D+01 -0.145968D+01
      3   0.758788D+00 -0.377229D+01  0.203333D+01 -0.839404D+01 -0.844805D+01
               111           112           113           114           115 
      1  -0.644133D+00  0.227187D+01  0.131966D+01 -0.101951D+01 -0.438295D+00
      2   0.564377D+01 -0.270229D+01 -0.218300D+01  0.255296D+01  0.482484D+01
      3  -0.703774D+00 -0.356473D+01 -0.453852D+01  0.557293D+00  0.841840D+00
               116           117           118           119           120 
      1   0.336590D+00  0.738457D+00  0.100686D+01  0.270910D+01 -0.169405D+01
      2   0.124070D+01  0.439117D+00  0.650051D+00  0.133880D+01 -0.103090D+00
      3   0.263959D+01 -0.742802D+00  0.577436D+01  0.812265D+01 -0.304775D+01
               121           122           123           124           125 
      1   0.576058D+00  0.440540D+01 -0.500357D+01  0.463153D+00 -0.260692D+01
      2   0.638435D+00  0.182887D+01 -0.203515D+01 -0.213919D+00 -0.302863D+01
      3   0.589104D+01  0.207975D+02 -0.350030D+01 -0.382986D+01 -0.751026D+01
               126           127           128           129           130 
      1   0.256901D+01 -0.352241D+01  0.136473D+01  0.446350D+01  0.129019D+01
      2   0.139836D+01 -0.278451D+01  0.334613D+01  0.694170D+01  0.172271D+01
      3   0.379978D+01 -0.157330D+01 -0.205058D+01 -0.990266D+00 -0.420860D+00
               131           132           133           134           135 
      1  -0.819151D+00 -0.246976D+01  0.438220D+01 -0.102415D+01 -0.802273D+01
      2  -0.281467D+01 -0.259678D+01  0.331179D+01 -0.453953D+01 -0.105257D+02
      3   0.525360D+01  0.206418D+01  0.105137D+00  0.412973D+01  0.153461D+01
               136           137           138           139           140 
      1  -0.161210D+01 -0.224793D-01 -0.309858D+01 -0.388826D+00 -0.140238D+01
      2  -0.289412D+01  0.330507D+00 -0.114084D+01  0.199631D+01 -0.704871D+00
      3   0.792604D+00 -0.432401D+00  0.440253D+00 -0.448429D+00 -0.606552D-01
               141           142           143           144           145 
      1   0.331582D+01 -0.381481D+00  0.357698D+01 -0.138087D+02  0.258469D+01
      2   0.279289D+01 -0.605984D+01 -0.106326D+01 -0.110770D+02  0.191829D+01
      3   0.453299D+00  0.242386D+01  0.115155D+01  0.142434D+01 -0.125239D+01
               146           147           148           149           150 
      1  -0.367794D+01  0.312095D+00 -0.259094D+01  0.111087D+02 -0.222437D+01
      2  -0.101465D+01  0.103842D+01 -0.269356D+01  0.175129D+01 -0.150655D+01
      3  -0.308132D+01 -0.852565D+00  0.435283D+01  0.475594D+01  0.561658D+00
               151           152           153           154           155 
      1   0.374383D+00 -0.143464D+01 -0.374551D+00 -0.100674D+01  0.270749D+01
      2  -0.108639D+00 -0.128478D+01 -0.958641D+00  0.652773D+00 -0.134151D+01
      3  -0.141987D+01 -0.171885D+00  0.709290D+00 -0.576690D+01  0.811323D+01
               156           157           158           159           160 
      1   0.169379D+01  0.575391D+00 -0.440545D+01 -0.500585D+01 -0.463346D+00
      2  -0.104447D+00 -0.640663D+00  0.183695D+01  0.203837D+01 -0.215179D+00
      3   0.305071D+01  0.588475D+01 -0.207925D+02 -0.350885D+01  0.383137D+01
               161           162           163           164           165 
      1  -0.261027D+01 -0.257383D+01  0.352066D+01  0.136605D+01 -0.446154D+01
      2   0.303377D+01  0.140286D+01 -0.278383D+01 -0.334730D+01  0.693819D+01
      3  -0.752019D+01 -0.380583D+01  0.157130D+01 -0.205154D+01  0.992918D+00
               166           167           168           169           170 
      1   0.129117D+01  0.820060D+00 -0.247250D+01 -0.438181D+01 -0.102725D+01
      2  -0.172306D+01 -0.281542D+01  0.259922D+01  0.331045D+01  0.454309D+01
      3  -0.421521D+00 -0.525685D+01  0.206426D+01 -0.103482D+00  0.413119D+01
               171           172           173           174           175 
      1   0.802554D+01 -0.108213D+01 -0.506544D-01 -0.342372D+00  0.247268D+00
      2  -0.105287D+02  0.252014D+01 -0.208789D+00 -0.152821D+01  0.433110D+00
      3  -0.153912D+01  0.146062D+01 -0.113085D+00  0.110744D+01 -0.382514D+00
               176           177           178           179           180 
      1   0.747032D+00 -0.603538D+00 -0.692960D-01  0.400854D+01 -0.141514D+01
      2   0.187069D+01  0.324003D+01  0.274622D+01  0.190826D+01  0.266942D+02
      3  -0.149542D+01 -0.158729D+01 -0.759390D+00 -0.377286D+01 -0.202605D+01
               181           182           183           184           185 
      1  -0.341005D+01  0.174621D+01  0.646005D+00  0.227141D+01 -0.131912D+01
      2  -0.681432D+01  0.146218D+01  0.564576D+01  0.270403D+01 -0.218453D+01
      3   0.839203D+01 -0.844799D+01  0.700006D+00 -0.356395D+01  0.453804D+01
               186           187           188           189 
      1  -0.102051D+01  0.440288D+00  0.335918D+00 -0.739012D+00
      2  -0.255518D+01  0.482954D+01 -0.124370D+01  0.433450D+00
      3   0.559507D+00 -0.844425D+00  0.264376D+01  0.744440D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.868106D+01  0.154376D+02 -0.492906D+01  0.672461D+01 -0.203568D+01
      2  -0.147472D+01 -0.185567D+02  0.126417D+02 -0.109310D+02 -0.161036D+02
      3   0.101558D+02  0.311907D+01 -0.771260D+01  0.420635D+01  0.181392D+02
      4   0.704887D+01 -0.547815D+01 -0.371819D+01 -0.873718D+01 -0.176095D+02
      5  -0.148463D+02 -0.217758D+01  0.128961D+02  0.110644D+01  0.314399D+01
      6  -0.158973D+02  0.820666D+01  0.229969D+01  0.981494D+01  0.602020D+00
                 6             7             8             9            10 
      1   0.916792D+01  0.933401D+00  0.592061D+01  0.110437D+02  0.818795D+00
      2   0.123766D+01  0.431202D+01 -0.315771D+01  0.129055D+02 -0.247377D+01
      3  -0.104056D+02 -0.524542D+01 -0.276289D+01 -0.239491D+02  0.165497D+01
      4   0.121299D+01 -0.704443D+01 -0.318350D+01  0.761814D+01  0.464866D+01
      5   0.328562D+01  0.104396D+02  0.530589D+01 -0.265561D+01 -0.124649D+02
      6   0.691133D+01  0.493945D+01  0.752855D+01 -0.376748D+01  0.239820D+01
                11            12            13            14            15 
      1   0.555736D+00 -0.471371D+01 -0.404180D+00 -0.185614D+01 -0.557971D+01
      2   0.281110D+01  0.174844D+01  0.382182D+01  0.329835D+00  0.214973D+01
      3  -0.336684D+01  0.296527D+01 -0.341764D+01  0.152630D+01  0.342999D+01
      4  -0.118238D+01  0.471880D+01 -0.671513D+01  0.866057D+01  0.233809D+01
      5   0.636499D+01 -0.918265D+00 -0.179501D+01  0.625110D+00 -0.244390D+01
      6  -0.278370D+01  0.152854D+01 -0.454521D+01  0.207963D+01 -0.205624D+00
                16            17            18            19            20 
      1  -0.106202D+02 -0.358696D+01 -0.694967D+00 -0.356339D+01 -0.200090D-02
      2   0.511037D+01  0.233864D+01 -0.304138D+01  0.674930D+01 -0.205409D-03
      3   0.550988D+01  0.124832D+01  0.373634D+01 -0.318591D+01  0.220631D-02
      4   0.125009D+01  0.578946D+01 -0.219720D+01 -0.408937D-02 -0.161738D+00
      5  -0.475834D+00 -0.145542D+01  0.104180D+00  0.152315D+02  0.115340D-02
      6   0.519910D+01 -0.844903D+00  0.147309D+01  0.312259D-02  0.298666D+01
                21            22            23            24            25 
      1   0.172244D+01 -0.105998D-02 -0.159353D+01  0.209846D-02 -0.528014D+01
      2  -0.416179D+01 -0.190170D-02  0.426894D+01 -0.133945D-02  0.992777D+00
      3   0.243934D+01  0.296168D-02 -0.267541D+01 -0.759009D-03  0.428736D+01
      4   0.199994D-02 -0.269860D+01  0.213067D-02  0.323862D-01  0.522934D-02
      5  -0.909890D+01  0.596874D-02  0.108828D+00  0.369925D-03 -0.158997D+02
      6  -0.137420D-03  0.743965D+01  0.311889D-03 -0.208590D+01  0.101488D-02
                26            27            28            29            30 
      1  -0.132621D-03 -0.423095D+01 -0.123979D+02 -0.196543D+02  0.152990D+02
      2   0.821637D-03  0.161497D+01  0.177344D+01  0.927547D+01 -0.892250D+01
      3  -0.689017D-03  0.261598D+01  0.106245D+02  0.103788D+02 -0.637655D+01
      4   0.378883D+00 -0.539871D-03 -0.252927D+02 -0.247842D+01 -0.372315D+01
      5  -0.848520D-03  0.464216D+01  0.215847D+02 -0.449813D+01  0.133780D+02
      6  -0.123680D+01 -0.168675D-02 -0.563685D+01  0.987126D+00 -0.315536D+01
                31            32            33            34            35 
      1  -0.326782D+02  0.665154D+01 -0.109310D+01  0.265124D+02  0.363739D+01
      2   0.151617D+02 -0.645885D+01 -0.289713D+01 -0.114587D+02 -0.529469D+01
      3   0.175165D+02 -0.192693D+00  0.399023D+01 -0.150538D+02  0.165730D+01
      4   0.851525D+01  0.109968D+02  0.153891D+02  0.394483D+01  0.101684D+02
      5  -0.642709D+01  0.174907D+02  0.950795D+01  0.791981D+01  0.740621D+01
      6  -0.413709D+00  0.210462D+01  0.178362D+01 -0.204064D+01  0.157032D+01
                36            37            38            39            40 
      1   0.172673D+02  0.832208D+00 -0.523965D+01 -0.610016D+01 -0.255034D+01
      2   0.307260D+01  0.725680D+01 -0.874896D+01  0.452398D+01 -0.803079D+01
      3  -0.203399D+02 -0.808900D+01  0.139886D+02  0.157618D+01  0.105811D+02
      4   0.614073D+01 -0.113628D+02  0.138665D+02 -0.133525D+02  0.145983D+02
      5  -0.152108D+02  0.698837D+01 -0.153768D+02 -0.165512D+02 -0.658275D+01
      6   0.402133D+01 -0.342316D+00  0.866115D+01  0.898182D+01  0.548778D+01
                41            42            43            44            45 
      1   0.114851D+02 -0.103366D+02  0.187187D+01 -0.212306D+02 -0.122031D+02
      2  -0.529830D+01  0.121079D+02  0.125752D+01  0.173222D+02  0.878791D+01
      3  -0.618678D+01 -0.177127D+01 -0.312939D+01  0.390842D+01  0.341521D+01
      4  -0.177429D+02 -0.350503D+01 -0.195188D+02 -0.363804D+00  0.566317D+01
      5  -0.701213D+01  0.104930D+01 -0.149275D+02  0.280358D+01  0.851090D+01
      6   0.600566D+01 -0.185422D+01  0.117408D+02 -0.458274D+01 -0.386584D+01
                46            47            48            49            50 
      1  -0.868173D+01 -0.154325D+02 -0.492352D+01 -0.672681D+01 -0.203068D+01
      2  -0.148192D+01  0.185494D+02  0.126490D+02  0.109254D+02 -0.161009D+02
      3   0.101637D+02 -0.311690D+01 -0.772551D+01 -0.419859D+01  0.181316D+02
      4  -0.703582D+01 -0.548054D+01  0.371204D+01 -0.873906D+01  0.176079D+02
      5  -0.148435D+02  0.217106D+01  0.128968D+02 -0.111619D+01  0.315210D+01
      6   0.158894D+02  0.821009D+01 -0.229725D+01  0.982060D+01 -0.616070D+00
                51            52            53            54            55 
      1  -0.916783D+01  0.942460D+00 -0.591987D+01  0.110405D+02  0.802321D+00
      2  -0.124517D+01  0.431926D+01  0.314547D+01  0.128972D+02 -0.246576D+01
      3   0.104130D+02 -0.526172D+01  0.277440D+01 -0.239378D+02  0.166344D+01
      4   0.122197D+01  0.703836D+01 -0.317437D+01 -0.761934D+01 -0.465261D+01
      5  -0.328033D+01  0.104428D+02 -0.530465D+01 -0.267012D+01 -0.124680D+02
      6   0.690426D+01 -0.493993D+01  0.752361D+01  0.378042D+01 -0.239808D+01
                56            57            58            59            60 
      1  -0.558158D+00 -0.471359D+01  0.406232D+00 -0.186085D+01  0.557798D+01
      2  -0.280840D+01  0.175006D+01 -0.382081D+01  0.332450D+00 -0.214889D+01
      3   0.336656D+01  0.296353D+01  0.341457D+01  0.152840D+01 -0.342909D+01
      4  -0.117931D+01 -0.471828D+01 -0.671792D+01 -0.866634D+01  0.233399D+01
      5  -0.636279D+01 -0.919756D+00  0.179782D+01  0.622904D+00  0.244349D+01
      6  -0.278404D+01 -0.152857D+01 -0.454279D+01 -0.207596D+01 -0.203896D+00
                61            62            63            64            65 
      1  -0.106252D+02  0.358786D+01 -0.688067D+00  0.838812D+00  0.526406D+01
      2   0.511316D+01 -0.233943D+01 -0.304418D+01  0.725854D+01  0.872428D+01
      3   0.551205D+01 -0.124843D+01  0.373225D+01 -0.809736D+01 -0.139883D+02
      4  -0.125050D+01  0.578580D+01  0.220332D+01  0.113781D+02  0.138616D+02
      5  -0.467451D+00  0.146143D+01  0.109531D+00  0.697858D+01  0.153823D+02
      6  -0.519770D+01 -0.842709D+00 -0.147469D+01  0.340012D+00  0.866914D+01
                66            67            68            69            70 
      1  -0.610743D+01  0.256423D+01  0.114734D+02  0.103457D+02  0.186361D+01
      2   0.453681D+01  0.801406D+01 -0.528579D+01 -0.121171D+02  0.126847D+01
      3   0.157062D+01 -0.105783D+02 -0.618759D+01  0.177142D+01 -0.313207D+01
      4   0.133576D+02  0.145908D+02  0.177393D+02 -0.350331D+01  0.195192D+02
      5  -0.165367D+02  0.658763D+01 -0.701167D+01 -0.106002D+01 -0.149164D+02
      6  -0.897592D+01  0.549473D+01 -0.601222D+01 -0.186769D+01 -0.117371D+02
                71            72            73            74            75 
      1   0.212368D+02 -0.121791D+02 -0.123616D+02  0.196530D+02  0.153239D+02
      2  -0.173313D+02  0.876898D+01  0.175373D+01 -0.927338D+01 -0.892932D+01
      3  -0.390560D+01  0.341014D+01  0.106079D+02 -0.103796D+02 -0.639456D+01
      4  -0.365354D+00 -0.567686D+01  0.252882D+02 -0.248357D+01  0.370894D+01
      5  -0.282014D+01  0.852326D+01  0.216118D+02  0.448258D+01  0.133635D+02
      6  -0.459929D+01  0.387399D+01  0.562964D+01  0.985794D+00  0.314974D+01
                76            77            78            79            80 
      1   0.326740D+02  0.665364D+01  0.107766D+01  0.265403D+02 -0.365363D+01
      2  -0.151568D+02 -0.645897D+01  0.289908D+01 -0.114647D+02  0.529604D+01
      3  -0.175172D+02 -0.194672D+00 -0.397674D+01 -0.150756D+02 -0.164241D+01
      4   0.851405D+01 -0.110128D+02  0.153895D+02 -0.395767D+01  0.101709D+02
      5   0.640837D+01  0.174910D+02 -0.949567D+01  0.789227D+01 -0.739504D+01
      6  -0.414137D+00 -0.210871D+01  0.178602D+01  0.203702D+01  0.157210D+01
                81            82            83            84            85 
      1   0.172418D+02  0.328956D+01 -0.345519D+01  0.176603D+01 -0.265383D+01
      2   0.309176D+01  0.476228D+01  0.108771D+02 -0.283883D+01  0.109748D+02
      3  -0.203336D+02 -0.805184D+01 -0.742187D+01  0.107280D+01 -0.832092D+01
      4  -0.612935D+01  0.104794D+02  0.180486D+02 -0.342733D+01  0.163026D+02
      5  -0.152426D+02 -0.241164D+01 -0.492287D+01  0.359473D+01 -0.533671D+01
      6  -0.401312D+01 -0.254745D+01 -0.734317D+01  0.351797D+01 -0.814958D+01
                86            87            88            89            90 
      1  -0.237254D+02  0.690231D+01  0.268245D+01  0.779209D+00 -0.573226D+01
      2   0.457259D+02 -0.699480D+01 -0.783487D+00  0.386161D+01  0.211740D+01
      3  -0.220005D+02  0.924903D-01 -0.189896D+01 -0.464082D+01  0.361485D+01
      4   0.316710D+02 -0.751943D+01  0.179761D+01  0.111431D+01  0.353297D+01
      5  -0.854102D+01  0.504162D+01  0.140530D+01  0.318712D+01 -0.219324D+01
      6  -0.214472D+02  0.114140D+02  0.182193D+01  0.681473D+01 -0.385577D+01
                91            92            93            94            95 
      1  -0.534821D+00 -0.186432D+00 -0.533974D+01 -0.275378D+01 -0.399625D+01
      2  -0.258904D+01  0.110253D+01 -0.336284D+01  0.219677D+01  0.161733D+01
      3   0.312386D+01 -0.916102D+00  0.870258D+01  0.557018D+00  0.237892D+01
      4  -0.984374D+00  0.199089D+01 -0.146243D+01  0.253814D+01  0.193923D+01
      5   0.185497D+01 -0.383876D+00  0.508687D+01  0.174227D+01 -0.189020D+01
      6   0.410822D+00  0.267995D+00 -0.335232D+01 -0.148568D+01 -0.952565D+00
                96            97            98            99           100 
      1  -0.408419D+01 -0.247258D+01  0.565073D+01 -0.324549D+02  0.642768D+01
      2  -0.655162D+01 -0.766736D-01 -0.222636D+01 -0.217187D+02 -0.575125D+01
      3   0.106358D+02  0.254926D+01 -0.342437D+01  0.541736D+02 -0.676428D+00
      4  -0.194395D+01 -0.147238D+01 -0.307278D+01  0.822734D+00  0.292354D+01
      5  -0.226914D+01  0.532059D+01  0.141963D+01 -0.106486D+02  0.423526D+01
      6   0.526937D+01 -0.329640D+00  0.857377D+01 -0.164740D+02 -0.225828D+00
               101           102           103           104           105 
      1   0.219849D+01  0.682169D+01  0.445855D+01 -0.261293D+01  0.278630D+01
      2  -0.114097D+01 -0.219430D+01 -0.228706D+01  0.149566D+00  0.526551D+00
      3  -0.105752D+01 -0.462739D+01 -0.217149D+01  0.246336D+01 -0.331285D+01
      4   0.498357D+00  0.380151D+00  0.329410D+01 -0.276956D+01  0.317325D+01
      5   0.115331D+01  0.357592D+01  0.591252D+00  0.301486D+01 -0.442378D+01
      6  -0.861542D+00  0.427379D+00  0.186493D+01 -0.207709D+01  0.691819D+01
               106           107           108           109           110 
      1   0.674368D+01  0.158031D+01 -0.120209D+02  0.795576D+02  0.197878D+02
      2  -0.112227D+02  0.593700D+00 -0.224708D+02 -0.389594D+02 -0.924763D+01
      3   0.447902D+01 -0.217401D+01  0.344917D+02 -0.405982D+02 -0.105402D+02
      4  -0.131728D+01  0.600569D+01 -0.289512D+01  0.235823D+02  0.150477D+02
      5   0.196570D+02 -0.354930D+01  0.474678D+02  0.659958D+01  0.234885D+01
      6  -0.194721D+01  0.561559D+01 -0.711282D+01  0.275449D+01  0.138648D+01
               111           112           113           114           115 
      1   0.213981D+01  0.320990D+02  0.121405D+02  0.139039D+01 -0.148478D+02
      2  -0.241633D+01 -0.141344D+02 -0.287429D+01 -0.159198D+01  0.589199D+01
      3   0.276519D+00 -0.179646D+02 -0.926619D+01  0.201593D+00  0.895582D+01
      4   0.146114D+01  0.182319D+02  0.118395D+02 -0.751559D+00 -0.319849D+01
      5   0.984056D+01  0.437599D+01 -0.850090D+00  0.445080D+01  0.115757D+02
      6   0.674712D+00  0.183365D+01  0.108389D+01  0.166749D+01  0.436976D+00
               116           117           118           119           120 
      1  -0.256021D+01  0.654162D+01 -0.384780D+01 -0.989709D+01  0.234402D+01
      2   0.104717D+01 -0.560489D+01  0.424224D+01  0.141898D+02 -0.265224D+01
      3   0.151303D+01 -0.936729D+00 -0.394439D+00 -0.429267D+01  0.308214D+00
      4  -0.505810D+01  0.241482D+01  0.261645D+01 -0.266869D+01  0.181040D+01
      5   0.242372D+01  0.198201D+01 -0.344692D+00  0.305207D+01  0.437275D+00
      6   0.169283D+01 -0.833783D+00 -0.161250D+01 -0.289735D+01  0.180101D+01
               121           122           123           124           125 
      1  -0.593289D+01 -0.256924D+02  0.495767D+01  0.327703D+01  0.106986D+02
      2   0.489735D+01  0.403206D+02 -0.666414D+01 -0.257427D+01 -0.127203D+02
      3   0.103554D+01 -0.146282D+02  0.170647D+01 -0.702761D+00  0.202168D+01
      4   0.431849D+01 -0.202674D+02  0.156184D+01  0.996402D+00  0.491453D+01
      5   0.195799D+01  0.290060D+01 -0.521603D+01  0.378707D+01 -0.515905D+01
      6  -0.153318D+01 -0.642711D+01  0.710756D+01 -0.843205D+00  0.953791D+01
               126           127           128           129           130 
      1  -0.423462D+01  0.171002D+02 -0.496708D+01 -0.722141D+01 -0.853308D-01
      2   0.451388D+01 -0.105502D+02  0.197802D+01  0.508794D+01 -0.159495D+01
      3  -0.279264D+00 -0.654999D+01  0.298906D+01  0.213347D+01  0.168028D+01
      4  -0.416391D+01 -0.145045D+02  0.113748D+02  0.120622D+02  0.959381D+01
      5   0.201570D+01 -0.181164D+02  0.109524D+02  0.195382D+02  0.627318D+01
      6  -0.454916D+01  0.868655D+01 -0.711765D+01 -0.890914D+01 -0.589890D+01
               131           132           133           134           135 
      1  -0.218880D+01  0.705534D+00 -0.119062D+02  0.278709D+01  0.371583D+01
      2   0.571114D+01  0.147809D+01  0.858118D+01 -0.402134D+00 -0.102509D+02
      3  -0.352234D+01 -0.218362D+01  0.332507D+01 -0.238496D+01  0.653509D+01
      4  -0.134239D+02 -0.927549D+01  0.180443D+02 -0.165042D+02 -0.169352D+02
      5  -0.893768D+01 -0.670979D+01  0.238350D+02 -0.157331D+02 -0.309965D+02
      6   0.716268D+01  0.835983D+01 -0.129960D+02  0.136515D+02  0.184371D+02
               136           137           138           139           140 
      1  -0.535993D+00  0.185759D+00 -0.534465D+01  0.275501D+01 -0.399665D+01
      2  -0.258906D+01 -0.110095D+01 -0.336818D+01 -0.219498D+01  0.161563D+01
      3   0.312505D+01  0.915194D+00  0.871283D+01 -0.560026D+00  0.238101D+01
      4   0.984617D+00  0.198951D+01  0.146157D+01  0.253815D+01 -0.193754D+01
      5   0.185885D+01  0.383227D+00  0.508607D+01 -0.174214D+01 -0.188960D+01
      6  -0.411317D+00  0.269071D+00  0.335338D+01 -0.148540D+01  0.949899D+00
               141           142           143           144           145 
      1   0.408879D+01 -0.247703D+01 -0.564460D+01 -0.324533D+02  0.328988D+01
      2   0.655243D+01 -0.813305D-01  0.222789D+01 -0.217179D+02  0.476093D+01
      3  -0.106412D+02  0.255836D+01  0.341671D+01  0.541711D+02 -0.805082D+01
      4  -0.194388D+01  0.147101D+01 -0.307097D+01 -0.819348D+00 -0.104803D+02
      5   0.226832D+01  0.531782D+01 -0.141722D+01 -0.106359D+02 -0.241519D+01
      6   0.527034D+01  0.332664D+00  0.856968D+01  0.164571D+02  0.255129D+01
               146           147           148           149           150 
      1   0.345585D+01  0.176628D+01  0.265327D+01 -0.237215D+02 -0.690668D+01
      2  -0.108740D+02 -0.283981D+01 -0.109697D+02  0.457082D+02  0.699952D+01
      3   0.741811D+01  0.107353D+01  0.831641D+01 -0.219867D+02 -0.928442D-01
      4   0.180468D+02  0.343138D+01  0.162993D+02 -0.316610D+02 -0.752409D+01
      5   0.492668D+01  0.359685D+01  0.533978D+01 -0.854580D+01 -0.504442D+01
      6  -0.734680D+01 -0.352064D+01 -0.815368D+01  0.214571D+02  0.114193D+02
               151           152           153           154           155 
      1   0.268144D+01 -0.784411D+00 -0.573406D+01 -0.384298D+01  0.988657D+01
      2  -0.785325D+00 -0.385227D+01  0.211686D+01  0.423613D+01 -0.141745D+02
      3  -0.189612D+01  0.463668D+01  0.361720D+01 -0.393148D+00  0.428794D+01
      4  -0.179382D+01  0.110675D+01 -0.353350D+01 -0.261488D+01 -0.266441D+01
      5   0.140561D+01 -0.318817D+01 -0.219522D+01 -0.344290D+00 -0.305254D+01
      6  -0.182301D+01  0.681717D+01  0.385978D+01  0.161517D+01 -0.290354D+01
               156           157           158           159           160 
      1   0.234911D+01  0.592629D+01 -0.256837D+02 -0.496830D+01  0.328115D+01
      2  -0.265653D+01 -0.488767D+01  0.403089D+02  0.667746D+01 -0.257585D+01
      3   0.307428D+00 -0.103863D+01 -0.146252D+02 -0.170916D+01 -0.705299D+00
      4  -0.181059D+01  0.432298D+01  0.202755D+02  0.157080D+01 -0.992399D+00
      5   0.436585D+00 -0.195669D+01  0.290949D+01  0.521974D+01  0.378660D+01
      6  -0.180182D+01 -0.153376D+01  0.644760D+01  0.711412D+01  0.843033D+00
               161           162           163           164           165 
      1  -0.107101D+02 -0.424269D+01  0.170818D+02  0.496181D+01 -0.721349D+01
      2   0.127344D+02  0.452027D+01 -0.105374D+02 -0.197281D+01  0.507840D+01
      3  -0.202435D+01 -0.277577D+00 -0.654440D+01 -0.298900D+01  0.213509D+01
      4   0.492807D+01  0.417030D+01  0.144959D+02  0.113745D+02 -0.120603D+02
      5   0.516610D+01  0.202328D+01 -0.181010D+02 -0.109512D+02  0.195255D+02
      6   0.954807D+01  0.456043D+01 -0.868283D+01 -0.711717D+01  0.890532D+01
               166           167           168           169           170 
      1   0.852775D-01 -0.219194D+01 -0.704922D+00 -0.118993D+02 -0.278327D+01
      2   0.159699D+01  0.571712D+01 -0.147888D+01  0.857117D+01  0.397776D+00
      3  -0.168226D+01 -0.352518D+01  0.218380D+01  0.332810D+01  0.238549D+01
      4   0.959722D+01  0.134338D+02 -0.927799D+01 -0.180445D+02 -0.165103D+02
      5  -0.627538D+01 -0.893985D+01  0.671524D+01  0.238245D+02  0.157389D+02
      6  -0.590078D+01 -0.716748D+01  0.836494D+01  0.129954D+02  0.136592D+02
               171           172           173           174           175 
      1   0.370424D+01  0.643506D+01 -0.220267D+01  0.681832D+01 -0.446194D+01
      2  -0.102392D+02 -0.575710D+01  0.114275D+01 -0.220014D+01  0.228930D+01
      3   0.653498D+01 -0.677956D+00  0.105993D+01 -0.461818D+01  0.217263D+01
      4   0.169397D+02 -0.292521D+01  0.501719D+00 -0.379954D+00  0.329649D+01
      5  -0.309941D+02  0.424163D+01 -0.115253D+01  0.358941D+01 -0.593201D+00
      6  -0.184441D+02  0.224764D+00 -0.859502D+00 -0.424262D+00  0.186624D+01
               176           177           178           179           180 
      1  -0.260878D+01 -0.277943D+01  0.674650D+01 -0.157394D+01 -0.120021D+02
      2   0.147101D+00 -0.525128D+00 -0.112327D+02 -0.590782D+00 -0.224828D+02
      3   0.246168D+01  0.330456D+01  0.448623D+01  0.216473D+01  0.344849D+02
      4   0.276610D+01  0.317391D+01  0.131384D+01  0.600659D+01  0.288333D+01
      5   0.301575D+01  0.441176D+01  0.196772D+02  0.353751D+01  0.474882D+02
      6   0.207152D+01  0.691475D+01  0.194416D+01  0.561260D+01  0.709505D+01
               181           182           183           184           185 
      1   0.795462D+02 -0.197919D+02  0.211614D+01 -0.320979D+02  0.121418D+02
      2  -0.389501D+02  0.924822D+01 -0.240353D+01  0.141314D+02 -0.287354D+01
      3  -0.405961D+02  0.105437D+02  0.287383D+00  0.179664D+02 -0.926826D+01
      4  -0.235890D+02  0.150502D+02 -0.145331D+01  0.182359D+02 -0.118410D+02
      5   0.656566D+01 -0.234014D+01  0.983736D+01 -0.436150D+01 -0.857334D+00
      6  -0.274905D+01  0.138431D+01 -0.674153D+00  0.182926D+01 -0.108033D+01
               186           187           188           189 
      1  -0.138165D+01 -0.148778D+02  0.256891D+01  0.654603D+01
      2   0.158799D+01  0.590780D+01 -0.105088D+01 -0.560655D+01
      3  -0.206342D+00  0.896997D+01 -0.151803D+01 -0.939484D+00
      4  -0.758090D+00  0.320940D+01 -0.506596D+01 -0.241880D+01
      5  -0.445111D+01  0.115798D+02 -0.242747D+01  0.197060D+01
      6   0.166728D+01 -0.437466D+00  0.169265D+01  0.834273D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654523D-03      0.166363D-02      0.554928D-02
   x         -0.225010D-04     -0.571917D-04     -0.190771D-03
   y          0.653948D-03      0.166217D-02      0.554440D-02
   z         -0.157066D-04     -0.399221D-04     -0.133166D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.100344D+03      0.148694D+02      0.165444D+02
   aniso      0.242171D+02      0.358861D+01      0.399287D+01
   xx         0.116206D+03      0.172199D+02      0.191597D+02
   yx        -0.255793D-03     -0.379047D-04     -0.421746D-04
   yy         0.947191D+02      0.140359D+02      0.156171D+02
   zx         0.121317D+01      0.179773D+00      0.200024D+00
   zy         0.246040D-03      0.364594D-04      0.405665D-04
   zz         0.901064D+02      0.133524D+02      0.148565D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.103903D+03      0.153968D+02      0.171313D+02
   aniso      0.264171D+02      0.391461D+01      0.435559D+01
   xx         0.121180D+03      0.179570D+02      0.199798D+02
   yx        -0.268764D-03     -0.398268D-04     -0.443133D-04
   yy         0.978739D+02      0.145034D+02      0.161372D+02
   zx         0.139500D+01      0.206717D+00      0.230004D+00
   zy         0.151267D-03      0.224155D-04      0.249406D-04
   zz         0.926550D+02      0.137301D+02      0.152767D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.60971765          2.09535044          2.13384642
     6          2.54110098          0.40976533          0.06114975
     6          0.03923479         -0.02527079          1.11222308
     6          4.83707838         -1.07291822         -0.50382410
     6          3.69407583          0.70445291         -2.46629316
     6         -1.45867472         -2.19322439          2.14345246
     6         -2.53102170         -0.41606101          0.22084574
     6         -3.85956152         -0.59666367         -2.23003253
     6         -4.85921930          1.08648272         -0.11242284
     1          2.43261392          1.87711849          3.99773469
     1          1.06346297          4.01098995          1.65049683
     1          4.63986261         -3.08642098         -0.81564957
     1          6.60238006         -0.51354862          0.36734977
     1          2.74471509         -0.13929110         -4.07072456
     1          4.70819114          2.43208515         -2.88493331
     1         -0.95039067         -4.08375492          1.53580510
     1         -2.14824446         -2.06196589          4.06858086
     1         -3.02473668          0.32183639         -3.85689492
     1         -4.90276150         -2.30530289         -2.65510009
     1         -4.68200186          3.11256216         -0.34461179
     1         -6.55948409          0.48421184          0.85428220

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654523D-03      0.166363D-02      0.554928D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.654523D-03      0.166363D-02      0.554928D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.100344D+03      0.148694D+02      0.165444D+02
   aniso      0.242171D+02      0.358861D+01      0.399287D+01
   xx         0.116231D+03      0.172237D+02      0.191640D+02
   yx        -0.295500D+00     -0.437885D-01     -0.487213D-01
   yy         0.900558D+02      0.133449D+02      0.148482D+02
   zx        -0.764710D+00     -0.113318D+00     -0.126084D+00
   zy        -0.961984D-01     -0.142551D-01     -0.158610D-01
   zz         0.947438D+02      0.140396D+02      0.156211D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.103903D+03      0.153968D+02      0.171313D+02
   aniso      0.264171D+02      0.391461D+01      0.435559D+01
   xx         0.121213D+03      0.179619D+02      0.199853D+02
   yx        -0.391958D+00     -0.580822D-01     -0.646252D-01
   yy         0.925950D+02      0.137212D+02      0.152668D+02
   zx        -0.831267D+00     -0.123181D+00     -0.137057D+00
   zy        -0.106747D+00     -0.158183D-01     -0.176002D-01
   zz         0.979008D+02      0.145074D+02      0.161417D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K07-07-01\Freq\RB3LYP\Gen\C9H12\PIERPA\16-Jul-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,0.850997,1.132902,-1.10565\C,1.349583,0.074712,-0.171197\
 C,0.000033,0.589081,-0.000049\C,2.545757,-0.163361,0.661658\C,2.010439
 ,-1.243659,-0.273932\C,-0.8508,1.13255,1.105829\C,-1.349503,0.074646,0
 .171128\C,-2.010462,-1.243726,0.273569\C,-2.545996,-0.163032,-0.661407
 \H,1.247956,2.136318,-0.998967\H,0.606749,0.844078,-2.122271\H,2.40969
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 \H,-1.24784,2.135964,0.99944\H,-1.522526,-2.099396,-0.176207\H,-2.5859
 18,-1.467289,1.163367\H,-2.410375,-0.306923,-1.726447\H,-3.47345,0.323
 675,-0.386186\\Version=ES64L-G16RevA.03\State=1-A\HF=-350.184084\RMSD=
 6.763e-09\RMSF=3.867e-06\ZeroPoint=0.1816545\Thermal=0.1902387\Dipole=
 -0.0000225,0.0006539,-0.0000157\DipoleDeriv=0.0441472,0.0229242,0.0418
 348,-0.0035406,0.0325966,0.0982814,0.0410455,0.11593,-0.0071946,-0.043
 1092,0.1814136,-0.0811574,0.200245,0.0217823,0.074772,-0.1110469,0.047
 9791,0.1274627,-0.0851046,0.0000017,0.1614893,0.0000231,0.1930791,-0.0
 000116,0.1540475,-0.0000199,0.0966244,-0.0030876,-0.0185548,-0.0971774
 ,-0.0698904,0.0559693,-0.0457673,-0.0997486,-0.0447446,0.0154346,0.100
 947,0.0073863,-0.0295378,0.0177739,-0.0920419,-0.0706457,0.0169835,-0.
 0676885,0.0633715,0.0441304,-0.0229887,0.0418786,0.0034768,0.0326479,-
 0.0982374,0.0410912,-0.1159148,-0.0072472,-0.043081,-0.181395,-0.08116
 32,-0.2002701,0.0218608,-0.074769,-0.1110858,-0.0479392,0.1273633,0.10
 09166,-0.0073241,-0.0295144,-0.0177519,-0.0920952,0.0706065,0.0169918,
 0.0676769,0.0634634,-0.0031646,0.0186208,-0.097179,0.069983,0.0559411,
 0.0458379,-0.0997053,0.0447706,0.0155762,-0.0007675,-0.0660981,0.00795
 13,-0.0519745,-0.1088544,0.0521684,-0.0019807,-0.0080018,0.0104969,0.0
 281588,-0.0051393,-0.0403938,-0.0120063,0.0050125,-0.0418643,-0.004131
 5,0.0302958,-0.1234591,0.0114822,-0.0146372,0.029009,-0.0197599,0.0502
 639,0.014069,-0.0572638,0.0117847,-0.1164037,-0.11817,-0.0565467,-0.01
 6835,-0.0760451,0.0328425,-0.0084629,0.0176072,0.0262239,0.0165998,0.0
 318692,-0.0744543,0.0342653,-0.0050073,-0.0874279,0.0078388,0.0392937,
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 DEMOCRATS BUY MOST OF THE BOOKS THAT HAVE BEEN
 BANNED; REPUBLICANS FORM CENSORSHIP COMMITTEES AND
 READ THEM AS A GROUP.
 Job cpu time:       0 days  2 hours 41 minutes  7.3 seconds.
 Elapsed time:       0 days  0 hours 20 minutes 15.4 seconds.
 File lengths (MBytes):  RWF=    242 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 13:30:21 2021.
